Single R-group polymorphisms (SRPs) and R-cliffs: An intuitive framework for analyzing and visualizing activity cliffs in a single analog series

Journal of Chemical Information and Modeling

Volumn 51, Issue 5, 2011, Pages 1122-1131

  Agrafiotis, Dimitris K ^a   Wiener, John J M ^a   Skalkin, Andrew ^a   Kolpak, Jeremy ^a  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PATTERN RECOGNITION;

AVERAGE DIFFERENCE; CONGENERIC SERIES; GROUP DECOMPOSITION; RECOGNITION ABILITIES; SUBSTITUENT EFFECT;

LANDFORMS;

CATHEPSIN; CATHEPSIN S; LIGAND; PROTEINASE INHIBITOR;

ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER GRAPHICS; COMPUTER PROGRAM; DRUG DEVELOPMENT; STRUCTURE ACTIVITY RELATION; ARTICLE; DRUG ANTAGONISM;

CATHEPSINS; COMPUTER GRAPHICS; DRUG DISCOVERY; LIGANDS; MOLECULAR STRUCTURE; PROTEASE INHIBITORS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79959746718     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200054u     Document Type: Article

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