Kolmogorov-Smirnov statistic and its application in library design

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 4-5, 2000, Pages 368-382

  Rassokhin, Dmitrii N ^a   Agrafiotis, Dimitris K ^a  

^a JOHNSON AND JOHNSON   (United States)

Author keywords

Combinatorial chemistry; Combinatorial library; Data mining; High throughput screening; Komogorov Smirnov; Molecular descriptor; Molecular diversity; Molecular similarity; Multiobjective optimization; Nonlinear mapping; Principal component analysis; Simulated annealing; Synchronous annealing

Indexed keywords

MOLECULAR GRAPHICS; ROBOTICS; COMBINATORIAL MATHEMATICS; COMPUTER SYSTEMS PROGRAMMING; DATA MINING; DATABASE SYSTEMS; SIMULATED ANNEALING; STATISTICS;

LIBRARY DESIGN; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARIES; KOLMOGOROV-SMIRNOV STATISTIC;

DRUG PRODUCTS; MOLECULAR DYNAMICS;

REAGENT;

ARTICLE; COMBINATORIAL CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DISTRIBUTION; INFORMATION PROCESSING; METHODOLOGY; MOLECULAR WEIGHT; NONLINEAR SYSTEM; PRIORITY JOURNAL; ROBOTICS; SCREENING; SIMULATION; STATISTICAL ANALYSIS; SYNTHESIS;

DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR WEIGHT; SOFTWARE; STATISTICS;

EID: 0034351492     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00063-2     Document Type: Article

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