ATOMIC PHYSICOCHEMICAL PARAMETERS FOR 3-DIMENSIONAL-STRUCTURE-DIRECTED QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS .2. MODELING DISPERSIVE AND HYDROPHOBIC INTERACTIONS

被引：667

作者：

GHOSE, AK

CRIPPEN, GM

机构：

[1] Univ of Michigan, Ann Arbor, MI, USA, Univ of Michigan, Ann Arbor, MI, USA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1987年 / 27卷 / 01期

关键词：

D O I：

10.1021/ci00053a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

DRUG PRODUCTS

引用

页码：21 / 35

页数：15

共 19 条

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[4] USE OF PHYSICOCHEMICAL PARAMETERS IN DISTANCE GEOMETRY AND RELATED 3-DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS - A DEMONSTRATION USING ESCHERICHIA-COLI DIHYDROFOLATE-REDUCTASE INHIBITORS
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[J]. JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (03) : 333 - 346
[5] ATOMIC PHYSICOCHEMICAL PARAMETERS FOR 3-DIMENSIONAL STRUCTURE-DIRECTED QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS .1. PARTITION-COEFFICIENTS AS A MEASURE OF HYDROPHOBICITY
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CRIPPEN, GM
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[6] Glasstone S., 1948, TXB PHYS CHEM, P543
[7] HOOKE R, 1961, J ACM, V8, P212, DOI 10.1145/321062.321069
[8] KOCHANSKI E, 1981, INTERMOLECULAR FORCE, P15
[9] INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA .3. DETERMINATION OF EMPIRICAL POTENTIALS AND APPLICATION TO PACKING CONFIGURATIONS AND LATTICE ENERGIES IN CRYSTALS OF HYDROCARBONS, CARBOXYLIC-ACIDS, AMINES, AND AMIDES
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[10] HYDROPHOBIC INTERACTIONS
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