Publications by Lemont Kier

Lemont Kier

<div><b>Books: Authored or Edited (Partial list)</b></div><ul><li onmousemove="linkBox.show( this, '476' )">Molecular Orbital Theory In Drug Research. L. B. Kier, Academic Press, New York (1971). </li><li onmousemove="linkBox.show( this, '477' )">Molecular Orbital Theory In Drug Research. L. B. Kier, Academic Press, New York (1971). Translated into Japanese in 1975</li><li onmousemove="linkBox.show( this, '478' )">Molecular Orbital Theory In Drug Research. L. B. Kier, Academic Press, New York (1971). Translated into Indonesian in 1996</li><li onmousemove="linkBox.show( this, '479' )">Molecular Connectivity In Chemistry and Drug Research. L. B. Kier and L. H. Hall, Academic Press, New York (1976)</li><li onmousemove="linkBox.show( this, '480' )">Molecular Connectivity in Structure Activity Analysis. L. B. Kier and L. H. Hall, John Wiley Publ, London (1986) </li><li onmousemove="linkBox.show( this, '481' )">Molecular Structure Description: The Electrotopological State L. B. Kier and L. H. Hall, Academic Press, San Diego, (1999)</li><li onmousemove="linkBox.show( this, '482' )">Medicinal Chemistry and Physics for Nurse Anesthetists L. B. Kier and C. Dowd Amer. Assoc. of Nurse Anesthetists, Chicago (2004) </li><li onmousemove="linkBox.show( this, '483' )">Cellular Automata Modeling of Chemical Systems. L. B. Kier, P. G. Seybold and C.-K. Cheng, Springer, Amsterdam (2005) </li><li onmousemove="linkBox.show( this, '484' )">Science and Complexity for Life Science Students. L. B. Kier, Kendall/Hunt, Dubuque, IO, (2007). </li></ul><div><b>Journal Artcles</b></div><ul><li onmousemove="linkBox.show( this, '485' )">A Note on Tigogenin From Digitalis Lanata. L. B. Kier and O. Gisvold, J. Am. Pharm. Assoc., Sci. Ed., 45, 8 (1956)</li><li onmousemove="linkBox.show( this, '486' )">The Alkaloids of Argemone Munita Subsp. Rotundata. L. B. Kier and T. O. Soine, J. Am. Pharm. Assoc., Sci. Ed., 49, 187 (1960)</li><li onmousemove="linkBox.show( this, '487' )">Reaction of Aniline with 3‑Phenoxy‑1,2‑Epoxy Propane. L. B. Kier and R. B. Penland, J. Org. Chem., 25, 1965 (1960)</li><li onmousemove="linkBox.show( this, '488' )">Structural Studies on Related Argemone Alkaloids. L. B. Kier and T. O. Soine, J. Pharm. Sci., 50, 321 (1961)</li><li onmousemove="linkBox.show( this, '489' )">Triterpenes of Poria Obliqua. L. B. Kier, J. Pharm. Sci., 50, 471 (1961)</li><li onmousemove="linkBox.show( this, '490' )">Structural Studies on Terebinthone from Schinus Terebinthefolius. K. K. Kaistha and L. B. Kier, J. Pharm. Sci., 51, 245 (1962)</li><li onmousemove="linkBox.show( this, '491' )">A New Class of Central Nervous System Stimulants. L. B. Kier, L. E. Fox, D. Dhawan and I. W. Waters, Nature 195, 817 (1962)</li><li onmousemove="linkBox.show( this, '492' )">Structural Studies on the Triterpenes of Schinus Terebinthefolius. K. K. Kaistha and L. B. Kier, J. Pharm. Sci., 51, 1136 (1962)</li><li onmousemove="linkBox.show( this, '493' )">The Synthesis of Sydnones as Potential Therapeutic Agents. L. B. Kier and D. Dhawan, J. Pharm. Sci., 51, 1058 (1962)</li><li onmousemove="linkBox.show( this, '494' )">On the Structure of Argemonine. T. O. Soine and L. B. Kier, J. Pharm. Sci., 51, 1196 (1962)</li><li onmousemove="linkBox.show( this, '495' )">Structural Studies on the Triterpene Obliquol. L. B. Kier and W. S. Brey, Jr., J. Pharm. Sci., 52, 465 (1963)</li><li onmousemove="linkBox.show( this, '496' )">Isolation of Podophyllotoxin from Callitrus Drummondii. L. B. Kier, D. B. Fitzgerald and S. Burgett, J. Pharm. Sci., 52, 502 (1963)</li><li onmousemove="linkBox.show( this, '497' )">The Structure of Argemonine, Identification as N‑Methylpavine. M. Martell, T. O. Soine and L. B. Kier, J. Am. Chem. Soc. 85, 1022 (1963)</li><li onmousemove="linkBox.show( this, '498' )">Nuclear Magnetic Resonance of Natural Products IV. Structure and Stereochemistry of Terebinthone and Schinol. L. B. Kier, "J. M. Lehn and G. Ourisson, Bull. Soc. Chim. France, 911 (1963)</li><li onmousemove="linkBox.show( this, '499' )">The Structure of Bisnorargemonine. T. O. Soine and L. B. Kier, J. Pharm. Sci., 52, 1013 (1963)</li><li onmousemove="linkBox.show( this, '500' )">Derivatives of 1‑Phenyl‑4‑(2‑Hydroxy‑3‑Methoxypropyl) Piperazine. H. Howell, C.B. Pollard, L. B. Kier and H. H. Sisler, J. Med. Chem., 6, 604 (1963)</li><li onmousemove="linkBox.show( this, '501' )">Identification of Methyl Esters of Krebs Cycle Acids by Gas-Liquid Chromatography. H. H. Luke, T. E. Freeman and L. B. Kier, Anal. Chem., 35, 1916 (1963)</li><li onmousemove="linkBox.show( this, '502' )">Synthesis of Several Disubstituted Sydnones. D. Dhawan and L. B. Kier J. Pharm. Sci., 53, 677 (1964)</li><li onmousemove="linkBox.show( this, '503' )">Chloruretic, Naturetic and Depressor Activities of Some Substituted Sydnones. M. J. Fregly. L. B. Kier and D. Dhawan, Tox. & Appl. Pharmacol., 6, 529 (1964)</li><li onmousemove="linkBox.show( this, '504' )">Synthesis of 3‑Alkylsydnone‑4‑Carboxylic Acids. L. B. Kier, D. Dhawan and M. J. Fregley, J. Pharm. Sci., 53, 677 (1964)</li><li onmousemove="linkBox.show( this, '505' )">Hydrogen Chemical Shifts of 3‑Alkyl and 3‑Phenylsydnones. K. D. Lawson, W. S. Brey and L. B. Kier, J. Am. Chem. Soc., 86, 436 (1964)</li><li onmousemove="linkBox.show( this, '506' )">A New Class of Antimicrobial Agents. L. B. Kier, M. C. Dodd, P. Sapko and T. G. Stewart, Nature, 204, 697 (1964)</li><li onmousemove="linkBox.show( this, '507' )">Synthesis of Several Mesoionic 1,3,4‑Thiadiazoles. T. G. Stewart and L. B. Kier, J. Pharm. Sci., 54, 731 (1965)</li><li onmousemove="linkBox.show( this, '508' )">Synthesis of Two 4,5‑Dialkylsydnones. E. B. Roche and L. B. Kier, J. Pharm. Sci., 54, 1700 (1965)</li><li onmousemove="linkBox.show( this, '509' )">Calculation of Dipole Moments of Heteroatom Molecules. L. B. Kier, Tetrahedron Letters, 3273 (1965)</li><li onmousemove="linkBox.show( this, '510' )">Molecular Orbital Localization Energies and Carbonyl Nucleophilic Reactivity. L. B. Kier, J. Pharm. Sci., 55, 98 (1966)</li><li onmousemove="linkBox.show( this, '511' )">Effect of Substituted Sulfamic Acid Compounds on Development of Renal Hypertension in Rats. M. J. Fregley and L. B. Kier, Tox. & Appl. Pharmacol., 9, 124 (1966)</li><li onmousemove="linkBox.show( this, '512' )">A New Class of Hypotensive Agents. L. B. Kier, A. Al-Shamma, R. Hahn and A. Tye, Nature, 210, 742 (1966)</li><li onmousemove="linkBox.show( this, '513' )">Molecular Orbital Calculations of the Electronic Structure of the Sydnones. L. B. Kier and E. B. Roche, J. Pharm. Sci., 55, 807 (1966)</li><li onmousemove="linkBox.show( this, '514' )">Mesoionic Pseudo‑Oxatriazoles as Hypotensive Agents. L. B. Kier, A. Al‑Shamma, R. Hahn, and A. Tye, J. Pharm. Sci., 55, 1467 (1966)</li><li onmousemove="linkBox.show( this, '515' )">Medicinal Chemistry of the Mesoionic Compounds. L. B. Kier and E. B. Roche, J. Pharm. Sci., 56, 149 (1966)</li><li onmousemove="linkBox.show( this, '516' )">Acylation of 3‑Phenylsydnone with Carboxylic Acids and Phosphorus Pentoxide. C. V. Greco, J. Tobias and L. B. Kier, J. Hetero. Chem., 4, 160 (1967)</li><li onmousemove="linkBox.show( this, '517' )">The Preferred Conformation of 3‑Phenylsydnone an EHT‑MO Calculation. L. B. Kier, Tetrahedron Letters, 1233 (1967)</li><li onmousemove="linkBox.show( this, '518' )">Structure of Argemonine. Identification as (‑)‑N‑Methylpavine. M. J. Martell, T. O. Soine and L. B. Kier, J. Pharm. Sci., 56, 973 (1967)</li><li onmousemove="linkBox.show( this, '519' )">Molecular Orbital Calculation of the Preferred Conformation of Acetylcholine, Muscarine and Muscarone. L. B. Kier, Molec. Pharmacol., 3, 487 (1967)</li><li onmousemove="linkBox.show( this, '520' )">A Molecular Orbital Study of the Reactions of Sydnones. E. B. Roche and L. B. Kier, Tetrahedron, 24, 1673 (1968)</li><li onmousemove="linkBox.show( this, '521' )">A Molecular Orbital Calculation of the Preferred Conformation of Nicotine. L. B. Kier, Molec. Pharmacol., 4, 70 (1968)</li><li onmousemove="linkBox.show( this, '522' )">Molecular Orbital Calculations of the Preferred Conformations of Histamine and a Theory on its Dual Activity. L. B. Kier, J. Med. Chem. 11, 4411 (1968)</li><li onmousemove="linkBox.show( this, '523' )">The Synthesis of Dialkyl Mesoionic 1,3,4‑Thiadiazoles. L. B. Kier and M. K. Scott, J. Hetero. Chem., 5, 277 (1968)</li><li onmousemove="linkBox.show( this, '524' )">Preferred Conformation of Serotonin and a Postulate on the Nature of its Receptor from MO Calculations. L. B. Kier, J. Pharm. Sci., 57, 1188 (1968)</li><li onmousemove="linkBox.show( this, '525' )">The Conformation of 20‑Oxopregnane Hormones from M.O. Calculations and A Consideration of the Cortisol Receptor. L. B. Kier, J. Med. Chem., 11, 915 (1968)</li><li onmousemove="linkBox.show( this, '526' )">Similarities in the Interatomic Distances of Some Antiinflammatory Agents and Inflammagenic Amines: A Possible Insight into their Common Receptors. L. B. Kier and M. W. Whitehouse, J. Pharm. and Pharmacol., 20, 793 (1968)</li><li onmousemove="linkBox.show( this, '527' )">The Preferred Conformations of Ephedrine Isomers and the Nature of the Adrenergic Receptor. L. B. Kier, J. Pharmacol. Exptl. Therap., 164, 75 (1968)</li><li onmousemove="linkBox.show( this, '528' )">The Preferred Conformation of Norepinephrine and A Consideration of the Alpha‑Adrenergic Receptor. L. B. Kier, J. Pharm. Pharmacol., 21, 93 (1969)</li><li onmousemove="linkBox.show( this, '529' )">The Conformation of Aminoacid Residues from M. O. Theory. L. B. Kier and J. M. George, Theor. Chim. Acta, 14, 258 (1969)</li><li onmousemove="linkBox.show( this, '530' )">Semiempirical Quantum Mechanical Studies on Some Hydrogen Bonded Systems. J. R. Hoyland and L. B. Kier, Theor. Chim. Acta, 15, 1, (1969)</li><li onmousemove="linkBox.show( this, '531' )">Nieuwe Geneesmiddelen. L. B. Kier, Natuur en Techniek, 37, 229 (1969)</li><li onmousemove="linkBox.show( this, '532' )">Molecular Orbital Conformation of Oxotremorine and A Comparison with the Muscarinic Pattern. L. B. Kier, J. Pharm. Sci., 59, 112 (1970)</li><li onmousemove="linkBox.show( this, '533' )">The Preferred Conformation of Dopamine From M. O. Theory. L. B. Kier and E. B. Truitt, J. Pharmacol. Expt. Ther., 174, 94 (1970)</li><li onmousemove="linkBox.show( this, '534' )">M.O. Approaches to the Interpretation of Organic Mass Spectra. The Mass Spectra of Mesoionic Compounds. R. C. Dougherty, R. L. Foltz and L. B. Kier, Tetrahedron, 26, 1989 (1970)</li><li onmousemove="linkBox.show( this, '535' )">Conformations of Aminoacids Calculated From M. O. Theory. J. M. George and L. B. Kier, Experientia, 26, 952 (1970)</li><li onmousemove="linkBox.show( this, '536' )">M. O. Studies on the Conformation of Gamma-Amino- butyric Acid and Muscimol. L. B. Kier and E. B. Truitt, Experientia, 26, 988 (1970)</li><li onmousemove="linkBox.show( this, '537' )">A Molecular Orbital Study of 3,5,3'‑Trihalothyronine Analogues. L. B. Kier and J. R. Hoyland, J. Med. Chem., 13, 1182 (1970)</li><li onmousemove="linkBox.show( this, '538' )">Molecular Orbital Consideration of Amino Acid Conformation. L. B. Kier and J.M. George, In Molecular Orbital Studies In Chemical Pharmocology. (L. B. Kier, Ed.). Springer-Verlag, New York (1970)</li><li onmousemove="linkBox.show( this, '539' )">Receptor Mapping Using Molecular Orbital Theory. L.B. Kier, In Fundamental Concepts In Drug-Receptor Interaction. (J.F. Moran and D.J. Triggle, Eds.). Academic Press, New York (1970)</li><li onmousemove="linkBox.show( this, '540' )">Quantum Pharmacology: Molecular Orbital Studies of Drug Molecule Conformations. L. B. Kier, In Current Concepts In the Pharmaceutical Sciences (J. Swarbrick, Ed.) Lea and Febriger, Phila. (1970)</li><li onmousemove="linkBox.show( this, '541' )">Molecular Orbital Conformation of Phenylcholine Ether. L. B. Kier and J. M. George, J. Med. Chem., 14, 80 (1971)</li><li onmousemove="linkBox.show( this, '542' )">Theoretical Considerations of Alpha and Beta Adrenergic Activity. J. M. George, L. B. Kier and J. R. Hoyland, Molec. Pharmacol., 7, 328 (1971)</li><li onmousemove="linkBox.show( this, '543' )">Molecular Orbital Theory in Drug Research. L. B. Kier, Prog. In Chem. and Chem. Ind. (Korea) 11, 18 (1971)</li><li onmousemove="linkBox.show( this, '544' )">The Preferred Conformation of Prostaglandin E‑1. J. R. Hoyland and L. B. Kier, J. Med. Chem., 15, 84 (1972)</li><li onmousemove="linkBox.show( this, '545' )">Mechanism of Action of Amodiaquin. Synthesis of its Indol- oquinoline Analog. V.E. Marquez, J.W. Cranston, R.W. Ruddon, L.B. Kier, and J.H. Burckhalter, J. Med. Chem., 15, 36 (1972)</li><li onmousemove="linkBox.show( this, '546' )">Molecular Orbital Studies of Ethylenediamine Conformation. M. S. Jhon, U. L. Cho, L. B. Kier and H. Eyring, Proc. Nat. Acad. Sci., 69, 121 (1972)</li><li onmousemove="linkBox.show( this, '547' )">Conformation of Gastrin Tetrapeptide. L. B. Kier and J. M. George, J. Med. Chem., 15, 384 (1972)</li><li onmousemove="linkBox.show( this, '548' )">A Molecular Theory of Sweet Taste. L. B. Kier, J. Pharm. Sci., 61, 394 (1972)</li><li onmousemove="linkBox.show( this, '549' )">The Preferred Conformation of the Muscarinic Agent L(+)‑Acetylmethylcholine. M. S. Jhon, U. I. Cho, Y. B. Chae and L. B. Kier, J. Korean Chem. Soc., 16, 70 (1972)</li><li onmousemove="linkBox.show( this, '550' )">Molecular Orbital Studies Of Biological Molecule Conformations. L. B. Kier In, Biological Correlations: The Hansch Approach. (W. Van Valkenburg, ed.) American Chemical Society, Wash. D.C. (1972)</li><li onmousemove="linkBox.show( this, '551' )">M. O. Studies on the Conformations of Bicuculline and Beta-Hydroxy GABA. L. B. Kier and J. M. George, Experientia, 29, 501 (1973)</li><li onmousemove="linkBox.show( this, '552' )">Chlorpromazine and Serotonin: Conformational Similarities Correlating with Activities. L. B. Kier, J. Theor. Biol., 40, 211 (1973)</li><li onmousemove="linkBox.show( this, '553' )">Conformation of Thyrotropin‑Releasing Hormone: Prediction From M. O. Theory. J. M. George and L. B. Kier, J. Theor. Biol., 40, 393 (1973)</li><li onmousemove="linkBox.show( this, '554' )">The Prediction of Molecular Conformation As A Biologically Significant Property. L. B. Kier, Pure and Appl. Chem., 35, 509 (1973)</li><li onmousemove="linkBox.show( this, '555' )">M. O. Studies of the Conformation Around the 5 Position in Angiotensin II. J. M. George and L. B. Kier, J. Theor. Biol., 46, 111 (1974)</li><li onmousemove="linkBox.show( this, '556' )">A Theoretical Approach to Structure‑Activity Relationships of Chloamphenicol and Congeners. H. D. Holtje and L. B. Kier, J. Med. Chem., 71, 814 (1974)</li><li onmousemove="linkBox.show( this, '557' )">Structure‑Activity Studies on GABA‑Like Agents. L. B. Kier, J. M. George and H. D. Holtje, J. Pharm. Sci., 63, 1435 (1974)</li><li onmousemove="linkBox.show( this, '558' )">Studies on Sweet Taste Receptor Using Model Interaction Energy Calculations. H. D. Holtje and L. B. Kier, J. Pharm. Sci., 63, 1722 (1974)</li><li onmousemove="linkBox.show( this, '559' )">M. O. Calculations on Antiepileptic Compounds. H. S. Aldrich and L. B. Kier, Molecular and Quantum Pharmacology (E. Bergmann and B. Pullman, Eds.), Reidel Publ., Dordrecht, Holland (1974) p. 229</li><li onmousemove="linkBox.show( this, '560' )">A Theoretical Study of Receptor Site Models for Trimethylammonium Group Interaction. L. B. Kier and H. S. Aldrich, J. Theor. Biol., 46, 521 (1974)</li><li onmousemove="linkBox.show( this, '561' )">Structure‑Activity Studies of Enzyme Substrates Using Model Interaction Calculations. H. D. Holtje and L. B. Kier, J. Theor. Biol., 48, 197 (1974)</li><li onmousemove="linkBox.show( this, '562' )">Theoretical Studies on the Nature of the Alpha Site of Cholinesterase. H. D. Holtje and L. B. Kier, J. Pharm. Sci., 64, 418 (1975)</li><li onmousemove="linkBox.show( this, '563' )">A Stochastic Model of the Remote Recognition of Preferred Conformation in A Drug‑Receptor Interaction. L. B. Kier and H. D. Holtje, J. Theor. Biol., 49, 401 (1975)</li><li onmousemove="linkBox.show( this, '564' )">Molecular Connectivity I. Relationship To Non‑Specific Local Anesthetic Activity. L. B. Kier, L. H. Hall, W. J. Murray and M. Randic, J. Pharm. Sci., 64, 1971 (1975)</li><li onmousemove="linkBox.show( this, '565' )">Molecular Connectivity II. Relationship to Water Solubility and Boiling Point. L. H. Hall, L. B. Kier and W. J. Murray, J. Pharm. Sci., 64, 1974 (1975)</li><li onmousemove="linkBox.show( this, '566' )">Molecular Connectivity III. Relationship to Partition Coefficient. W. J. Murray, L. H. Hall and L. B. Kier, J. Pharm. Sci., 64, 1978 (1975)</li><li onmousemove="linkBox.show( this, '567' )">Molecular Connectivity IV. Relationship to Biological Activity. L. B. Kier, W. J. Murray and L. H. Hall, J. Med. Chem., 18, 1272 (1975)</li><li onmousemove="linkBox.show( this, '568' )">A Model for Drug Receptor Remote Recognition Applied to Certain Hydrogen Bonding Systems. L. H. Hall and L. B. Kier, J. Theor. Biol., 58, 77 (1976)</li><li onmousemove="linkBox.show( this, '569' )">Molecular Connectivity V. Relationship to Density. L. B. Kier, L. H. Hall, M. Randic and W. J. Murray, J. Pharm. Sci., 65, 1226 (1976)</li><li onmousemove="linkBox.show( this, '570' )">Molecular Connectivity VI. Examination of the Parabolic Relationship Between Molecular Connectivity and Biological Activity. L. B. Kier and L. H. Hall, J. Med. Chem., 19, 578 (1976)</li><li onmousemove="linkBox.show( this, '571' )">Molecular Connectivity VII. Specific Treatment of Heteroatoms. L. B. Kier and L. Hall, J. Pharm. Sci., 65, 1806 (1976)</li><li onmousemove="linkBox.show( this, '572' )">Theoretical Studies on the Sweet‑Taste Glucophore. L. B. Kier, Structure‑Activity Relationships in Chemoreception (G. Benz, Symposum Ed) Irl Publ., London (1976) 101</li><li onmousemove="linkBox.show( this, '573' )">The Role of Molecular Orbital Calculations in Pharmacology. L. B. Kier, Trends in Biochem. Sci., 1, 80, (1976)</li><li onmousemove="linkBox.show( this, '574' )">Molecular Orbital Predictions of Properties Influencing Biological Phenomena. L. B. Kier, Experientia, 23, 151 (1976)</li><li onmousemove="linkBox.show( this, '575' )">Structure‑Activity Studies Using Valence Molecular Connectivity. L. H. Hall and L. B. Kier, J. Pharm. Sci., 66, 642 (1977)</li><li onmousemove="linkBox.show( this, '576' )">Molecular Connectivity and SAR of General Anesthetics. T. Dipaolo, L. B. Kier and L. H. Hall, Molec. Pharmacol., 13, 31 (1977)</li><li onmousemove="linkBox.show( this, '577' )">A Molecular Connectivity Study of Electron Density in Alkanes. L. H. Hall and L. B. Kier, Tetrahedron, 33, 1953 (1977)</li><li onmousemove="linkBox.show( this, '578' )">Structure‑Activity Studies on Odor Molecules Using Molecular Connectivity. L. B. Kier, T. Di Paolo, and L. H. Hall, J. Theoret. Biol., 67, 585 (1977)</li><li onmousemove="linkBox.show( this, '579' )">The Nature of Structure‑Activity Relationships and their Relation to Molecular Connectivity. L. B. Kier and L. H. Hall, Eur. J. Med. Chem., 12 307 (1977)</li><li onmousemove="linkBox.show( this, '580' )">Structure‑Activity Studies on Hallucinogenic Amphetamines Using Molecular Connectivity. L. B. Kier and L. H. Hall, J. Med. Chem., 20, 1631 (1977)</li><li onmousemove="linkBox.show( this, '581' )">Non-Cyclic Antiepileptics. W. J. Murray and L. B. Kier, In Anti- epileptic Agents. (J. Vida, ed.) Academic Press, New York (1977)</li><li onmousemove="linkBox.show( this, '582' )">Structure‑Activity Studies on the Mutagenicity of Nitrosamines Using Molecular Connectivity. L. B. Kier and L. H. Hall, J. Pharm. Sci., 67, 725 (1978)</li><li onmousemove="linkBox.show( this, '583' )">Structure‑Activity Studies on Amphetamines Using Model Interaction Calculations. T. Dipaolo, L. H. Hall and L. B. Kier, J. Theoret. Biol., 71, 295 (1978)</li><li onmousemove="linkBox.show( this, '584' )">1A Molecular Connectivity Study of the Muscarinic Receptor Affinity of Acetylcholine Antagonists. L. B. Kier and L. H. Hall, J. Pharm. Sci., 67, 1408 (1978)</li><li onmousemove="linkBox.show( this, '585' )">A Comparative Analysis of Molecular Connectivity, Hansch Free‑Wilson and Darc‑Pelco Methods in the SAR of Halogenated Phenols. L. H. Hall and L. B. Kier, Eur. J. Med. Chem., 13, 89 (1978)</li><li onmousemove="linkBox.show( this, '586' )">LSD Analogs as Serotonin Antagonists: A Molecular Connectivity SAR Analysis. R. A. Glennon and L. B. Kier, Eur. J. Med. Chem., 13, 219 (1978)</li><li onmousemove="linkBox.show( this, '587' )">Psychotomimetic Phenalkylamines as Serotonin Antagonists: an SAR Analysis. L.B. Kier and R.A. Glennon, Life Sci., 22, 1589 (1978)</li><li onmousemove="linkBox.show( this, '588' )">Molecular Connectivity and Substructure Analysis. L. H. Hall and L. B. Kier, J. Pharm. Sci., 67, 1743 (1978)</li><li onmousemove="linkBox.show( this, '589' )">Progress Toward The Development Of a Receptor Model For Hallucinogenic Amphetamines. T. Di Paolo, L.H. Hall and L.B. Kier, In The Psychopharmacology of Hallucinogens. (R.C. Stillman and R.E. Willette, eds.) Fergamon Press, New York (1978)</li><li onmousemove="linkBox.show( this, '590' )">Progress with Several Models For The Study Of The SAR Of Hallucinogenic Agents. L.B. Kier and R.A. Glennon, In QSAR Of Analgesics, Narcotic Antagonists and Hallucinogens. (G.Barnett M. Trsic and R. E. Willette, Eds.) N.I.D.A. Monograph #22, Washington (1978)</li><li onmousemove="linkBox.show( this, '591' )">A Molecular Connectivity Study of Halocarbon Anesthetics. T. Dipaolo, L.B. Kier and L.H. Hall, J. Pharm. Sci., 68, 39 (1979)</li><li onmousemove="linkBox.show( this, '592' )">Molecular Connectivity Analysis of Structure Influencing Chromatographic Retention Indices. L. B. Kier and L. H. Hall, J. Pharm. Sci., 68, 120 (1979)</li><li onmousemove="linkBox.show( this, '593' )">Molecular Connectivity Analysis of Hallucinogenic Mescaline Analogs. R. A. Glennon, L. B. Kier, and A. T. Shulgin. J. Pharm. Sci., 68, 906 (1979)</li><li onmousemove="linkBox.show( this, '594' )">SAR Analysis of Hydrazide Monamine Oxidase Inhibitors Using Molecular Connectivity. A. J. Richard and L. B. Kier, J. Pharm. Sci., 69, 124 (1980)</li><li onmousemove="linkBox.show( this, '595' )">Molecular Structure Influencing Either A Sweet or Bitter Taste Among Aldoximes. L. B. Kier, J. Pharm. Sci., 69, 416 (1980)</li><li onmousemove="linkBox.show( this, '596' )">SAR of Benzohydroxamic Acid Inhibitors of Ribonucleotide Reductase. B. van't Riet, L. B. Kier, and H. L. Elford, J. Pharm. Sci., 69, 586 (1980)</li><li onmousemove="linkBox.show( this, '597' )">Use of Molecular Negentropy to Encode Structure Governing Biological Activity. L. B. Kier, J. Pharm. Sci., 69, 807 (1980)</li><li onmousemove="linkBox.show( this, '598' )">Structural Information From Molecular Connectivity 4XPC Index. L. B. Kier, J. Pharm. Sci., 69, 1034 (1980)</li><li onmousemove="linkBox.show( this, '599' )">Approximate Molecular Potentials of Mescaline Analogs in A Study of Similarities to 5‑HT. S. Baldwin, L. B. Kier, and D. Shillady, Molec. Pharmacol., 18, 455 (1980)</li><li onmousemove="linkBox.show( this, '600' )">Method for Generating A Chemical Reaction Index for Storage and Retrieval of Information. M. A. Mosby and L. B. Kier, J. Chem. Inf. and Comp. Sci. 20, 217 (1980)</li><li onmousemove="linkBox.show( this, '601' )">Molecular Connectivity As A Description Of Structure For SAR Analyses. L. B. Kier, In Physical Chemical Properties Of Drugs. (S. Yalkowski and a Sinkula,Eds.) Marcel Dekker, New York (1980)</li><li onmousemove="linkBox.show( this, '602' )">Derivation and Significance of Valence Molecular Connectivity. L. B. Kier and L. H. Hall, J. Pharm. Sci., 70, 583 (1981)</li><li onmousemove="linkBox.show( this, '603' )">The Relation of Molecular Connectivity to Molecular Volume and Biological Activity. L. H. Hall and L. B. Kier, Eur. J. Med. Chem., 16, 399 (1981)</li><li onmousemove="linkBox.show( this, '604' )">Quantitation of Solvent Polarity Based on Molecular Structure. L. B. Kier, J. Pharm. Sci., 70, 930 (1981)</li><li onmousemove="linkBox.show( this, '605' )">Structure‑Toxicity Relationship of Selected Nitrogenous Heterocyclic Compounds III. Relations Using Molecular Connectivity. T. W. Schultz, L. B. Kier and L. H. Hall, Bull. Environm. Contam. Toxicol., 28, 373 (1982)</li><li onmousemove="linkBox.show( this, '606' )">Preliminary Studies of Mesoionic 3‑(Substituted Aryl)‑Oxatriazoles as Potential Antihypertensive Agents. M. Q. Lund, L. B. Kier, R. A. Glennon and J. L. Egle, Jr., J. Med. Chem., 25, 1503 (1982)</li><li onmousemove="linkBox.show( this, '607' )">Structural Influences and Mechanisms of Toxic Effects of Alcohols and Their Derivatives. L. B. Kier and L. H. Hall, Bull. Environm. Contam. Tox., 29, 121 (1982)</li><li onmousemove="linkBox.show( this, '608' )">Recent Advances in Molecular Connectivity for Biological SAR Analyses. L. B. Kier and L. H. Hall. IUPAC Pesticide Chemistry. Human Welfare and Environment. Pergamon Press, Oxford, England. p. 351 (1983)</li><li onmousemove="linkBox.show( this, '609' )">The Relation of Molecular Connectivity to the Structure and Properties of Nitrogen‑Bridged Compounds. G. Szasz, K. Novak‑Hanko, L. B. Kier, I. Hermecz and J.0 Kokosi. Acta Pharm. Hungarica, 53, 195 (1983)</li><li onmousemove="linkBox.show( this, '610' )">Structural Information and a Flexibility Index from the Molecular Connectivity 3Xp Index. L. B. Kier and L. H. Hall Quant. Struct. Act. Relat., 2, 55 (1983)</li><li onmousemove="linkBox.show( this, '611' )">General Definition of Valence Delta Values for Molecular Connectivity. L. B. Kier and L. H. Hall. J. Pharm. Sci., 72, 1170 (1983)</li><li onmousemove="linkBox.show( this, '612' )">Relation Between Molecular Connectivity Indexes, Partition Coefficients and Chromatographic Parameters. G. Szasz, O. Papp, J. Vamos, K. Hanko‑Novak, and L. B. Kier. J. Chromatog. 269, 91 (1983)</li><li onmousemove="linkBox.show( this, '613' )">Estimation of Substituent Group Electronic Influence from Molecular Connectivity Delta Values. L. B. Kier and L. H. Hall, Quant. Struct. Act. Relat., 2, 163 (1983)</li><li onmousemove="linkBox.show( this, '614' )">Structure‑Activity Relationship Studies on the Toxicities of Benzene Derivatives. L. H. Hall and L. B. Kier, Envirnm. Tox. Chem., 3, 355 (1984)</li><li onmousemove="linkBox.show( this, '615' )">Molecular Connectivity of Phenols and their Toxicity to Fish. L. H. Hall and L. B. Kier, Bull. Environm. Contam. Toxicol., 32, 354 (1984)</li><li onmousemove="linkBox.show( this, '616' )">A Molecular Connectivity Study of Phenols and their Toxicity to Fish. L. H. Hall and L. B. Kier, in QSAR in Design of Bioactive Compounds (M Kuchar, Ed.) Prous International Publ. Barcelona, Spain (1984)</li><li onmousemove="linkBox.show( this, '617' )">A Shape Index from Molecular Graphs. L. B. Kier. Quant Struct. Act. Relat. 4, 109 (1985)</li><li onmousemove="linkBox.show( this, '618' )">Shape Indexes of Orders One and Three from Molecular Graphs. L. B. Kier, Quant Struct.‑Act. Relat. 5, 1 (1986)</li><li onmousemove="linkBox.show( this, '619' )">Distinguishing Atom Differences in a Molecular Graph Shape Index. L. B. Kier, Quant. Struct‑Act. Relat. 5, 7 (1986)</li><li onmousemove="linkBox.show( this, '620' )">Molecular Connectivity and Total Response Surface Optimization. L. H. Hall and L. B. Kier, J. Molec. Struct. 134, 309 (1986)</li><li onmousemove="linkBox.show( this, '621' )">An Analysis of Benzene Substituent Effects on Toxicity.L.H. Hall and L. B. Kier, Environ. Tox. and Chem., 5, 333 (1986)</li><li onmousemove="linkBox.show( this, '622' )">Indexes of Molecular Shape from Chemical Graphs. L. B. Kier, Acta Pharm. Jugosl. 36, 171 (1986)</li><li onmousemove="linkBox.show( this, '623' )">Inclusion of Symmetry as a Shape Attribute in Kappa Index Analysis, L. B. Kier, Quant. Struct‑Act. Relat. 6, 8 (1987)</li><li onmousemove="linkBox.show( this, '624' )">A Structure Based Approach to Molecular Shape. L. B. Kier, in QSAR in Drug Design (D. Hadzi and B. Blazic, eds.) Elsevier, Amsterdam (1987)</li><li onmousemove="linkBox.show( this, '625' )">A Substituent Steric Effect Index Based on the Molecular Graph. L. B. Kier, Quant. Struct‑Act. Relat. 6, 117 (1987)</li><li onmousemove="linkBox.show( this, '626' )">Indexes of Molecular Shape from Chemical Graphs. L. B. Kier, Med. Res. Rev. 7, 417 (1987)</li><li onmousemove="linkBox.show( this, '627' )">Amino Acid Side Chain Parameters for Correlation Studies in Biology and Pharmacology. J. L. Fauchere, M. Charton, L. B. Kier, A. Verloop, and V. P. Pliska, Int. J. Peptide Protein Res. 32, 269 (1988)</li><li onmousemove="linkBox.show( this, '628' )">Estimation of Environmental and Toxicological Properties Environ. L. H. Hall and L. B. Kier Tox. and Chem. 8, 19 (1989)</li><li onmousemove="linkBox.show( this, '629' )">Differential Molecular Connectivity in Data-Base Fragment Searching. L. B. Kier and L. H. Hall, Pharm. Res. 6, 497 (1989)</li><li onmousemove="linkBox.show( this, '630' )">An Index of Flexibility from Molecular Shape Descriptors. L.B. Kier in QSAR in Drug Design (J.L. Fauchere, ed). Alan R. Liss Inc. New York (1989)</li><li onmousemove="linkBox.show( this, '631' )">Structure-Activity Relationship Studies on the Toxicity of Benzene Derivatives III. L. H. Hall, E. L. Maynard and L. B. Kier. Environ. Tox. and Chem., 8, 431 (1989)</li><li onmousemove="linkBox.show( this, '632' )">A Multiconfigurational Molecular Orbital Study of N-Methyl oxatriazole. L. F. Jones, D. D. Shillady, A. Duong and L. B. Kier. Int. J. Quantum Chem., 23, 465 (1989)</li><li onmousemove="linkBox.show( this, '633' )">An Index of Molecular Flexibility from Kappa Shape Attributes. L. B. Kier. Quant. Struct.-Act. Relat. 8, 218 (1989)</li><li onmousemove="linkBox.show( this, '634' )">QSAR Investigation of Benzene Tocicity to Fathead Minnow using Molecular Connectivity. L. H. Hall, E. L. Maynard and L. B. Kier. Env. Tox. and Chem. 8, 783 (1989)</li><li onmousemove="linkBox.show( this, '635' )">Indexes of Molecular Shape from Chemical Graphs, L. B. Kier in Computational Chemical Graph Theory (D.H. Rouvray, ed). Nova Science Publ., Commack, N.Y. (1990)</li><li onmousemove="linkBox.show( this, '636' )">An Electrotopological-State Index for Atoms in Molecules. L. B. Kier and L. H. Hall. Pharm. Res. 7, 801 (1990)</li><li onmousemove="linkBox.show( this, '637' )">Determination of Topological Equivalence in Molecular Graphs from the Topological State. L. H. Hall and L. B. Kier. Quant. Struct-Act. Relat. 9, 115 (1990)</li><li onmousemove="linkBox.show( this, '638' )">Water-Dragging Effect: A new Experimental Hydration Parameter Related to Hydrogen Bond Donor Acidity. W. Fan. N. El Tayar, B. Testa and L. B. Kier. J. Phys. Chem., 94, 4764 (1990)</li><li onmousemove="linkBox.show( this, '639' )">A Molecular Orbital Valence Bond Study of 3-Methyl Sydnone and 3-Methyl Pseudooxatriazole. D. D. Shillady, S. Cutler, L. F. Jones and L. B. Kier. Int. J. Quantum Chem, 24, 153 (1990)</li><li onmousemove="linkBox.show( this, '640' )">The Molecular Connectivity of Non-Sigma Electrons.L. B. Kier and L. H. Hall. Reports on Molec. Theory. 1, 121 (1990)</li><li onmousemove="linkBox.show( this, '641' )">A Differential Molecular Connectivity Index. L. B. Kier and L. H. Hall, Quant Struct.-Act. Relat. 10, 134 (1991)</li><li onmousemove="linkBox.show( this, '642' )">The Electrotopological State: Structure Information at the Atomic Level for Molecular Graphs. L. H. Hall and L. B. Kier J. Chem. Info Comp Sci. 31, 76 (1991)</li><li onmousemove="linkBox.show( this, '643' )">The Electrotopological State: An Atomic Index for QSAR. L. H. Hall and L. B. Kier, Quant. Struct-Act. Relat. 10, 43 (1991)</li><li onmousemove="linkBox.show( this, '644' )">The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling. L. H. Hall and L. B. Kier in Reviews of Computational Chemistry. (K. B. Lippowitz and D. B. Boyd, Eds.) VCH Publ., N. Y. (1991)</li><li onmousemove="linkBox.show( this, '645' )">The Concept of Molecular Structure in Structure-Activity Relations by Studies and Drug Design. B. Testa and L.B. Kier. Medicinal Research Reviews 11, 35 (1991)</li><li onmousemove="linkBox.show( this, '646' )">Water-Dragging Effect: Solute Hydration Behavior in various Solvent Systems. W. Fan, N. El Tayar, B. Testa, P.-A. Carrupt, and L.B. Kier in QSAR: Rational Approaches to the Design of Bioactive Compounds (C. Silipo and A. Vittoria, eds.) Elsevier Sci. Publ., Amsterdam (1991)</li><li onmousemove="linkBox.show( this, '647' )">An Index of Atom Electrotopological State. L. B. Kier and L. H. Hall. QSAR in Design of Bioactive Compounds, (M.Kuchar, ed.) J.R. Prous, Barcelona (1992)</li><li onmousemove="linkBox.show( this, '648' )">An Atom-Centered Index for Drug QSAR Models. L. B. Kier and L. H. Hall, in Advances in Drug Research Vol. 22 (B. Testa, ed.) Academic Press, New York (1992)</li><li onmousemove="linkBox.show( this, '649' )">Enumeration, Topological Indices and Molecular Properties of Alkanes. L. H. Hall and L. B. Kier in The Chemistry of Alkanes and Cycloalkanes. (S. Patai and Z. Rappoport, eds.) John Wiley, New York (1992)</li><li onmousemove="linkBox.show( this, '650' )">An Index of Electrotopological State for Atoms in Molecules. L. B. Kier and L. H. Hall. and Jack W. Frazer. J. Math Chem. 7, 229 (1992)</li><li onmousemove="linkBox.show( this, '651' )">An Electrotopological State Analysis of Adenosine A1 Inhibitors. N. Joshi and L.B. Kier. Med. Chem. Res. 1, 409 (1992)</li><li onmousemove="linkBox.show( this, '652' )">The Use of Electrotopological State Indices in QSAR Studies. A. Tsantili-Kakoulidou, L.B. Kier and N. Joshi. J. Chim. Phys. 89, 1729 (1992)</li><li onmousemove="linkBox.show( this, '653' )">Correlations between Chemical Structure and Normal Boiling Points of Halogenated Alkanes C1-C4. A.T. Balaban, N. Joshi, L.B. Kier and L. H. Hall. J. Chem. Info. and Comp. Sci., 32, 233 (1992)</li><li onmousemove="linkBox.show( this, '654' )">Correlations between Chemical Structure and Normal Boiling Points of Acyclic Ethers, Peroxides, Acetates and their Sulfur Analogues. A.T. Balaban, L.B. Kier and N. J. Chem. Info. and Comp. Sci. 32, 237 (1992)</li><li onmousemove="linkBox.show( this, '655' )">A QSAR Study of Alkylpyrazine Odor Modalities. A. Tsantili-Kakoulidou and L.B. Kier. Pharm. Res. 9, 1321 (1992)</li><li onmousemove="linkBox.show( this, '656' )">Topological Atomic Indices and the Electronic Charges in Alkanes. D. Bonchev and L.B. Kier. J. Math. Chem. 9, (1992)</li><li onmousemove="linkBox.show( this, '657' )">Structure Property Analysis of Octane Numbers for Hydrocarbons (Alkanes, Cycloalkanes, Alkenes).A. T. Balaban, L. B. Kier and N. Joshi. Commun. in Math. Chem. (MATCH) 28, 13 (1992)</li><li onmousemove="linkBox.show( this, '658' )">Binding of Salicylamides: QSAR Analysis with E-State Indexes. L. H. Hall and L. B. Kier, Med Chem. Res. 2, 497 (1992)</li><li onmousemove="linkBox.show( this, '659' )">Design of Molecules from QSAR Models. 1. Information Transfer between Path and Vertex Degree Counts. L. B. Kier, L. H. Hall and J. W. Frazer. J. Chem. Inf.& Comp. Sci., 33, 143 (1993)</li><li onmousemove="linkBox.show( this, '660' )">Design of Molecules from QSAR Models 2. Derivation and Proof of Information Transfer Relating Equations. L. H. Hall, L. B. Kier,and J. W. Frazer. J. Chem. Inf. & Comp. Sci. 33, 148 (1993)</li><li onmousemove="linkBox.show( this, '661' )">Comparison of E-State Indexes with M.O. Parameters.Inhibition of MAO by Hydrazides. L. H. Hall, B. K. Mohney, and L. B. Kier. Quant. Struct.-Act. Relat. 12, 44 (1993)</li><li onmousemove="linkBox.show( this, '662' )">Self-Returning Walks and Fractional Electronic Charges of Atoms in Molecules. D. Bonchev, L.B.Kier, and O. Mekenyan, Int. J. Quantum Chem. 46, 635 (1993)</li><li onmousemove="linkBox.show( this, '663' )">Design of Molecules from QSAR Models. 3. Role of Higher Order Path Counts: Path 3. L. H. Hall, R. S. Dailey, and L. B. Kier. J. Chem. Inf. & Comp. Sci. 33, 598 (1993)</li><li onmousemove="linkBox.show( this, '664' )">The Generation of Molecular Structures from a Graph-Based QSAR Equation. L. B. Kier and L. H. Hall. Quant. Struct.-Act. Relat. 12, 60 (1993)</li><li onmousemove="linkBox.show( this, '665' )">Solute-Water Interactions in the Organic Phase of a Biphasic System. 1. Structure Influence of Organic Solutes on the "Water Dragging" Effect. R. S. Tsai, W. Fan, N. El tayar, P.-A. Carrupt, B. Testa and L. B. Kier. J. Am. Chem. Soc. 115, 9632 (1993)</li><li onmousemove="linkBox.show( this, '666' )">Multivariate data modeling of new steric, topological and CoMFA - derived substituent parameters. H. van de Waterbeemd, P. A. Carrupt, B. Testa and L. B. Kier. Trends in QSAR and Molecular Modeling, 92. (C. G. Wermuth, ed.) Escom, Leiden, The Netherlands, pp. 69-75 (1993)</li><li onmousemove="linkBox.show( this, '667' )">A Cellular Automata Model of Water. L. B. Kier and C.-K. Cheng. J. Chem. Inf. & Comp. Sci., 34, 647 (1994)</li><li onmousemove="linkBox.show( this, '668' )">A Cellular Automata Model of an Aqueous Solution. L.B. Kier and C.K. Cheng, J. Chem. Inf. & Comp. Sci. 34, 1334 (1994)</li><li onmousemove="linkBox.show( this, '669' )">A Cellular Automata Model of the Hydrophobic Effect. L. B. Kier, C. K. Cheng, B. Testa and P.A. Carrupt, Pharm.Res. 12, 615 (1995)</li><li onmousemove="linkBox.show( this, '670' )">Atom-Level Descriptors for QSAR Analyses. L. B. Kier in Chemometric Methods in Molecular Design (H. van de Waterbeemd,ed), VCH Press, Weinheim, Germany (1995)</li><li onmousemove="linkBox.show( this, '671' )">A Celluar Automata Model of Dissolution.L. B. Kier and C.-K.Cheng, Pharm. Res. 12, 1521 (1995)</li><li onmousemove="linkBox.show( this, '672' )">A Celluar Automata Model of Oil-Water Partitioning. C.-K.Cheng and L. B. Kier, J. Chem. Inf. & Comput. Sci. 35, 1054 (1995)</li><li onmousemove="linkBox.show( this, '673' )">Complexity and Emergence in Drug Research. L. B.Kier and B. Testa. Adv. in Drug Res. 26, 1 (1995)</li><li onmousemove="linkBox.show( this, '674' )">Electrotopological State Indices for Atom Types. L. H. Hall and L. B. Kier, J. Chem. Inf. & Comput. Sci. 35, 1039 (1995)</li><li onmousemove="linkBox.show( this, '675' )">Molecular Similarity Based on Novel Atom-Type Electrotopological State Indicies. L. H. Hall, L. B. Kier and B. B. Brown, J. Chem, Inf. & Comput. Sci. 35, 1074 (1995)</li><li onmousemove="linkBox.show( this, '676' )">A QSAR MOdel of the OH Radical Reaction with CFC's. L. B. Kier,L. H. Hall and B. B. Brown, SAR & QSAR in Env. Res., 35, 97 (1995)</li><li onmousemove="linkBox.show( this, '677' )">A Celluar Automata Model of Partitioning Between Liquid Phases. L.B. Kier and C.-K. Cheng. in Lipophilicity in Drug Research, (Pliska, Testa and Waterbeemd, eds.) VCH Publ. (1996)</li><li onmousemove="linkBox.show( this, '678' )">Complex Systems in Drug Research I. The Chemical Levels. B. Testa and L. Kier, Complexity, 1, 19 (1996)</li><li onmousemove="linkBox.show( this, '679' )">Complex System in Drug Research II. The Ligand-Active Site-Water Confluence as a Complex System. L. B. Kier and B. Testa, Complexity, 1, 32 (1996)</li><li onmousemove="linkBox.show( this, '680' )">Cellular Automata Model of Micelle Formation. L.B.Kier, C.-K. Cheng, B. Testa and P.-A. Carrupt, Pharm. Res. 13, 1419 (1996)</li><li onmousemove="linkBox.show( this, '681' )">A Cellular Automata Model of Enzyme Kinetics. L. B. Kier, C.-K. Cheng, B. Testa and P.-A. Carrupt. J. Molec. Graphics, 14, 227 (1996)</li><li onmousemove="linkBox.show( this, '682' )">The E-State Fields. Applications to 3-D QSAR.G. E. Kellogg, L. B. Kier and L. H. Hall, J. Comp-Aided Molecular Design, 10, 513 (1996)</li><li onmousemove="linkBox.show( this, '683' )">The Concept of Emergence-Dissolvence in Drug Research, B.Testa and L. B. Kier, Adv. Drug Res., 30, 1 (1997)</li><li onmousemove="linkBox.show( this, '684' )">A Cellular Automata Model of Membrane Permeability, L. B. Kier and C.-K. Cheng, J. Theor. Biol., 186, 75 (1997)</li><li onmousemove="linkBox.show( this, '685' )">Simulation of First Order Chemical Kinetics using Cellular Automata, P. G. Seybold, L. B. Kier and C.-K. Cheng, J. Chem.Inf. & Comput. Sci., 37, 386 (1997)</li><li onmousemove="linkBox.show( this, '686' )">A Systems Approach to Molecular Structure, Intermolecular Recognition and Emergence- Dissolvence in Medicinal Research,B. Testa, L. B. Kier and P.-A. Carrupt, Med. Res. Rev., 17,303 (1997)</li><li onmousemove="linkBox.show( this, '687' )">Free Valence and the E-State Values, L. B. Kier and L. H. Hall, J. Chem. Inf. Comput. Sci., 37, 548 (1997)</li><li onmousemove="linkBox.show( this, '688' )">A Cellular Automata Model of Solution Phenomena, L. B. Kier and C.-K. Cheng, J. Math. Chem., 21, 71 (1997)</li><li onmousemove="linkBox.show( this, '689' )">A Cellular Automata Model of Diffusion in Aqueous Systems. L. B. Kier, C.-K. Cheng, B. Testa and P.-A. Carrupt. J.Pharm. Sci., 86, 774 (1997)</li><li onmousemove="linkBox.show( this, '690' )">Kappa Shape Indices for Similarity Analysis, L. B. Kier Med. Chem. Res., 7, 394 (1997)</li><li onmousemove="linkBox.show( this, '691' )">Stochastic Cellular Automata Models of Molecular Excited State Dynamics. P. G. Seybold, L. B. Kier and C.-K. Cheng, J. Phys. Chem. A 102 886 (1998)</li><li onmousemove="linkBox.show( this, '692' )">A cellular Automata Model of Acid Dissociation, L. B. Kier, C.-K.Cheng, M. Tute, and P. G. Seybold, J. Chem. Inf. Comp. Sci., 38, 271 (1998)</li><li onmousemove="linkBox.show( this, '693' )">Molecular Connectivity Chi Indices for Database Analysis and Structure-Property Modeling, L. H. Hall and L. B. Kier in Topological Indices and Related Descriptors in QSAR and QSPR (J. Devillers and S. Balaban, eds.) Gordon and Beech, London(1999)</li><li onmousemove="linkBox.show( this, '694' )">The Kappa Indices for Modeling Molecular Shape and Flexibility, L. B. Kier and L. H. Hall, in Topological Indices and Related Descriptors in QSAR and QSPR.(J. Devillers and S. Balaban, eds.) Gordon and Beech, London (1999)</li><li onmousemove="linkBox.show( this, '695' )">The Electrotopological State: Structure Modeling for QSAR and Database Analysis, L. B. Kier and L. H. Hall in Topological Indices and Related Descriptors in QSAR and QSPR.(J. Devillers and S. Balaban, eds.) Gordon and Beech, London(1999)</li><li onmousemove="linkBox.show( this, '696' )">Dynamic Percolation Modeled by Cellular Automata L. B. Kier, C.-K. Cheng and B. Testa, J. Chem. Inf. Comp. Sci.,39, 326 (1999)</li><li onmousemove="linkBox.show( this, '697' )">Cellular Automata Models of Biochemical Phenomena, L. B. Kier, C.-K. Cheng and B. Testa, Fut. Gen.Comput. Sys.,16, 273 (1999)</li><li onmousemove="linkBox.show( this, '698' )">Pharmacophore Mapping using the Electrotopological State Indices: Corticosteroids, C. De Gregorio, L. B. Kier and L. H. Hall, J. Comp-Aided Molec. Design 13, 118 (1999)</li><li onmousemove="linkBox.show( this, '699' )">The E-State in Database Analysis: The PCB</li><li onmousemove="linkBox.show( this, '700' )">An Exploration of Conformational and Lipophilicity Spaces, B. Testa, L. Raynaud, and L. B. Kier, Helv. Chim. Acta 82, 657 (1999)</li><li onmousemove="linkBox.show( this, '701' )">Intermolecular Accessibility: The Meaning of Molecular Connectivity, L. B. Kier and L. H. Hall, J. Chem. Inf. Comp. Sci., 40, 792 (2000)</li><li onmousemove="linkBox.show( this, '702' )">Cellular Automata Models of Chemical Systems, L. B. Kier, C.-K. Cheng, and P. Seybold, SAR and QSAR in Environ. Res., 11, 79 (2000)</li><li onmousemove="linkBox.show( this, '703' )">Cellular Automata Models of Kinetically Controlled Reactions, A. Neuforth, P. G. Seybold, L. B. Kier and C.-K. Cheng, Int. J. Chem. Kinetics, in press (2000)</li><li onmousemove="linkBox.show( this, '704' )">A Cellular Automata Model of an Anticipatory System.L. B. Kier and C.-K. Cheng, J. Molec. Mod. And Graphics, 18, 29 (2000)</li><li onmousemove="linkBox.show( this, '705' )">The E-State as the basis for Molecular Structure Space Definition and Structure Similarity, L. H. Hall and L. B. Kier, J. Chem. Inf. Comp. Sci., 40, 784 (2000)</li><li onmousemove="linkBox.show( this, '706' )">Emergence and Dissolvence in the Self-Organization of Complex Systems, B. Testa and L. B. Kier, ENTROPY, 2, 1 (2000)</li><li onmousemove="linkBox.show( this, '707' )">A Cellular Automata Model of Chromatography, L. B. Kier, C.-K. Cheng and H. T. Karnes, Biomed. Chromo., 14, 1 (2000)</li><li onmousemove="linkBox.show( this, '708' )">A Cellular Automata Model of Bond Interactions Among Molecules, L. B. Kier, J. Chem. Inf & Comp. Sci. 40, 1285 (2000)</li><li onmousemove="linkBox.show( this, '709' )">Database Organization and Similarity searching with E-State Indices, L. B. Kier and L. H. Hall, in Fundamentals of Molecular Similarity, (R. Carbo-Dorcas, ed.) Kluwer, New York (2001)</li><li onmousemove="linkBox.show( this, '710' )">A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle Systems, B. Testa, L. B. Kier, C.-K. Cheng and J. Mayer, ENTROPY 3, 28 (2001).</li><li onmousemove="linkBox.show( this, '711' )">Cellular Automata Models of Aqueous Solution Systems, L. B. Kier, C.-K. Cheng and P. Seybold, Rev. in Comp. Chem., 17 , 205 (2001).</li><li onmousemove="linkBox.show( this, '712' )">Database Organization and Searching with E-State Indices, L. B. Kier and L. H. Hall, SAR and QSAR in Toxicology Research, 12, 55 (2001)</li><li onmousemove="linkBox.show( this, '713' )">Database Organization and Searching with E-State Indices, L. B. Kier and L. H. Hall, MATCH, 44, 215 (2001)</li><li onmousemove="linkBox.show( this, '714' )">Molecular Connectivity: Intermolecular Accessibility and Encounter Simulation, L. B. Kier and L. H. Hall, J molec. Graphics and Model., 20, 76 (2001)</li><li onmousemove="linkBox.show( this, '715' )">Issues in Representation of Molecular Structure: The Development of Molecular Connectivity, L. H. Hall and L. B. Kier, J molec. Graphics and Model, 20, 4 (2001)</li><li onmousemove="linkBox.show( this, '716' )">A Cellular Automata Model of Ligand Passage over a Protein Hydrodynamic Landscape, L. B. Kier, C.-K. Cheng and B. Testa, J. Theoret. Biol., 214, 415-426 (2002).</li><li onmousemove="linkBox.show( this, '717' )">A Cellular Automata Model of Water Structuring by a Chiral Solute, Testa, B. Kier, L. B. and Cheng, C.-K. J. Chem. Inf. & Comput. Sci., 42, 712-716 (2002).</li><li onmousemove="linkBox.show( this, '718' )">The Meaning of Molecular Connectivity: A Bimolecular Accessibility Model, L. B. Kier and L. H. Hall, Croatia Chem. Acta, 75 371-382 (2002).</li><li onmousemove="linkBox.show( this, '719' )">Modeling Blood-Brain Barrier Partitioning using the E-State Rose, K., Hall. L. H. and Kier, L. B. J. Chem. Inf. & Comput. Sci., 42, 651-666 (2002).</li><li onmousemove="linkBox.show( this, '720' )">Molecules and Meaning: How do Molecules Become Biochemical Signals, Testa, B., Kier, L. B. and Bojarski, A. SEED 2, 84-101 (2002). </li><li onmousemove="linkBox.show( this, '721' )">B. Testa, Kier, L. B. and Cheng, C.-K. A Cellular Automata Model of Water Structuring by a Chiral Solute. J. Chem. Inf. & Comput. Sci., 42, 712 (2002). </li><li onmousemove="linkBox.show( this, '722' )">Studies on the Chreode Theory of Ligand Diffusion, L. B. Kier, C.-K. Cheng and B. Testa, J. Chem. Inf. & Comput. Sci., 43, 255 (2003).</li><li onmousemove="linkBox.show( this, '723' )">Modeling of Drug Albumin Binding Affinity with E-State Topological Structure Representation. L. M. Hall, L. H. Hall and L. B. Kier. J. Chem. Inf. Comput. Sci. 43, 2120-2128 (2003) </li><li onmousemove="linkBox.show( this, '724' )">QSAR modeling of beta-lactam binding to human serum proteins. L. M. Hall, L. H. Hall and L. B. Kier. J. Comp.-aided Molec. Design 10, 103-118 (2003) </li><li onmousemove="linkBox.show( this, '725' )">A Theory of Inhaled Anesthetic Action by Ligand Diffusion Chreode Disruption, L. B. Kier, AANA Journal 71, 422 (2003).</li><li onmousemove="linkBox.show( this, '726' )">Bioisosterism: Quantitation of Structure and Property Effects, L. Kier and L. Hall, Chem. & Biodiv., 1, 138 (2004).</li><li onmousemove="linkBox.show( this, '727' )">J.R. Votano, M. E. Parham, L. H. Hall and L. B. Kier, </li><li onmousemove="linkBox.show( this, '728' )">J. R. Votano, M. Parham, L. H. Hall, L. B. Kier, S. Oloff, A. Tropsha, Q. Xie and W. Tong, </li><li onmousemove="linkBox.show( this, '729' )">J. F. Contrera, L. H. Hall, L. B. Kier, P. MacLaughlin, </li><li onmousemove="linkBox.show( this, '730' )">L. H. Hall and L. M. Hall, </li><li onmousemove="linkBox.show( this, '731' )">J. R. Votano, M. E. Parham, L. H. Hall, L. B. Kier and L. M. Hall, </li><li onmousemove="linkBox.show( this, '732' )">L. B. Kier and T. M. Witten. Cellular Automata Models of Complex Systems, in Complexity in Chemistry, Biology and Ecology. D. Bonchev and D. H. Rouvray, eds. Springer, New York (2005)(in press)</li><li onmousemove="linkBox.show( this, '733' )">L. B. Kier, D. Bonchev and G. Buck, Modeling Biochemical Networks: A Cellular Automata Approach. Chem & Biodiv. 2, 233-243 (2005).</li></ul>