Investigation of classification methods for the prediction of activity in diverse chemical libraries

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 5, 1999, Pages 533-545

  Dixon, Steven L ^a   Villar, Hugo O ^a  

^a Telik Inc   (United States)

Author keywords

2D structural keys; Chemoinformatics; Classification; Cluster analysis; Discriminant analysis; Recursive partitioning; Topological descriptors

Indexed keywords

CHEMICAL ANALYSIS; DISCRIMINANT ANALYSIS; TOPOLOGY;

2D STRUCTURAL KEY; ACTIVE COMPOUNDS; CHEMICAL LIBRARIES; CHEMOINFORMATICS; CLASSIFICATION METHODS; INACTIVE COMPOUNDS; LINEAR DISCRIMINANT ANALYZE; RECURSIVE PARTITIONING; TOPOLOGICAL DESCRIPTORS; TRAINING SETS;

CLUSTER ANALYSIS;

BETA ADRENERGIC RECEPTOR STIMULATING AGENT; DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; HISTAMINE H2 RECEPTOR AGONIST;

ARTICLE; CLUSTER ANALYSIS; DISCRIMINANT ANALYSIS; DRUG CLASSIFICATION; DRUG INFORMATION; LIBRARY; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

EID: 0032817291     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008061017938     Document Type: Article

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