Heuristic lipophilicity potential for computer-aided rational drug design

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 5, 1997, Pages 503-515

  Du, Qishi ^a   Arteca, Gustavo A ^b   Mezey, Paul G ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

^b LAURENTIAN UNIVERSITY   (Canada)

Author keywords

Drug design; Electrostatic potential; Lipophilicity potential; Molecular modeling; Molecular shape

Indexed keywords

ELECTROSTATICS; HYDROPHILICITY; MOLECULAR MODELING; QUANTUM THEORY;

COMPUTER-AIDED; DRUG DESIGN; ELECTROSTATIC POTENTIALS; EMPIRICAL INDEX; HEURISTIC MOLECULAR LIPOPHILICITY POTENTIALS; LIPOPHILICITY; LIPOPHILICITY POTENTIAL; MOLECULAR SHAPES; RATIONAL DRUG DESIGNS; STRUCTURE-BASED;

HYDROGEN BONDS;

ALCOHOL; LIPID; PROPYLAMINE; PROTEIN; SOLVENT; VALERIC ACID DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; DRUG DESIGN; HYDROGEN BOND; SOLUBILITY; SURFACE PROPERTY; THERMODYNAMICS;

DRUG DESIGN; ETHANOL; HYDROGEN BONDING; LIPIDS; MODELS, CHEMICAL; PENTANOIC ACIDS; PROPYLAMINES; PROTEINS; SOLUBILITY; SOLVENTS; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 0031228749     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007949918800     Document Type: Article

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