Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships
作者： Tudor I. Oprea , Chris L. Waller
DOI: 10.1002/9780470125885.CH3
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sci-hub.se 参考文章(98)
GARLAND R. MARSHALL, C. DAVID BARRY, HEINZ E. BOSSHARD, RICHARD A. DAMMKOEHLER, DEBORAH A. DUNN, The Conformational Parameter in Drug Design: The Active Analog Approach AMERICAN CHEMICAL SOCIETY. pp. 205- 226 ,(1979) , 10.1021/BK-1979-0112.CH009
Tasneem A. Khwaja, Cynthia Dias Selassie, Corwin Hansch, Tavner J. Delcamp, Cynthia D. Strong, J. H. Freisheim, Comparison of Triazines as Inhibitors of L1210 Dihydrofolate Reductase and of L1210 Cells Sensitive and Resistant to Methotrexate Cancer Research. ,vol. 46, pp. 744- 756 ,(1986)
M V Evans, J D McKinney, C L Waller, Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds. Drug Metabolism and Disposition. ,vol. 24, pp. 203- 210 ,(1996)
R. S. Mulliken, Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I The Journal of Chemical Physics. ,vol. 23, pp. 1833- 1840 ,(1955) , 10.1063/1.1740588
Babu Subramanyam, Stuart W. Snyder, Patrick S. Callery, Merrill J. Egorin, Anju D. Harpalani, Alkylamides as Inducers of Human Leukemia Cell Differentiation: A Quantitative Structure-Activity Relationship Study Using Comparative Molecular Field Analysis Cancer Research. ,vol. 53, pp. 766- 771 ,(1993)
R. S. Mulliken, Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies The Journal of Chemical Physics. ,vol. 23, pp. 1841- 1846 ,(1955) , 10.1063/1.1740589
Romano T. Kroemer, Peter Hecht, Klaus R. Liedl, Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials Journal of Computational Chemistry. ,vol. 17, pp. 1296- 1308 ,(1996) , 10.1002/(SICI)1096-987X(199608)17:11<1296::AID-JCC2>3.0.CO;2-H
Glen E. Kellogg, Simon F. Semus, Donald J. Abraham, HINT: A new method of empirical hydrophobic field calculation for CoMFA Journal of Computer-aided Molecular Design. ,vol. 5, pp. 545- 552 ,(1991) , 10.1007/BF00135313
Corwin Hansch, Quantitative structure-activity relationships and the unnamed science Accounts of Chemical Research. ,vol. 26, pp. 147- 153 ,(1993) , 10.1021/AR00028A003
Sorel Mureşan, Traian Sulea, Dan Ciubotariu, Ludovic Kurunczi, Zeno Simon, Van der Waals Intersection Envelope Volumes as a Possible Basis for Steric Interaction in CoMFA Quantitative Structure-activity Relationships. ,vol. 15, pp. 31- 32 ,(1996) , 10.1002/QSAR.19960150106