Applications of random sampling to virtual screening of combinatorial libraries

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 4-5, 2000, Pages 335-342

  Beroza, Paul ^a   Bradley, Erin K ^a   Eksterowicz, John E ^a   Feinstein, Robert ^a   Greene, Jonathan ^a   Grootenhuis, Peter D J ^a   Henne, Randal M ^a   Mount, John ^a   Shirley, William A ^a   Smellie, Andrew ^a   Stanton, Robert V ^a   Spellmeyer, David C ^a  

^a DuPont Pharmaceuticals Research Laboratories   (United States)

Author keywords

Combinatorial chemistry; Combinatorial library design; Computational filter; Pharmacophore; Virtual library screening

Indexed keywords

ERROR ANALYSIS; ESTIMATION; PHARMACODYNAMICS; STATISTICAL METHODS; COMBINATORIAL MATHEMATICS; DATABASE SYSTEMS; RANDOM PROCESSES; SAMPLING;

RANDOM SAMPLING;

MOLECULAR GRAPHICS; MOLECULAR DYNAMICS;

ARTICLE; CHEMICAL REACTION; COMBINATORIAL CHEMISTRY; COMPUTER AIDED DESIGN; INFORMATION PROCESSING; MICROPORE FILTER; MOLECULAR WEIGHT; PHARMACOPHORE; PRIORITY JOURNAL; SAMPLING; SCREENING; SIMULATION; STATISTICAL ANALYSIS; SYNTHESIS;

COMBINATORIAL LIBRARIES; PHARMACOPORE; VIRTUAL LIBRARY SCREENING;

EID: 0034351493     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00059-0     Document Type: Article

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