Computational techniques for diversity analysis and compund classsification

Mini-Reviews in Medicinal Chemistry

Volumn 4, Issue 10, 2004, Pages 1029-1039

  Kitchen, D B ^a   Stahura, F L ^a,b   Bajorath, Jurgen ^a,b,c  

^a ALBANY MOLECULAR RESEARCH INC   (United States)

^b ALBANY MOLECULAR RESEARCH INC   (United States)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Bioactive molecules; Chemical descriptors; Clustering; Compound libraries; Drug likeness; Molecular diversity; Molecular similarity; Partitioning

Indexed keywords

ALPHA 1 ADRENERGIC RECEPTOR; ANTINEOPLASTIC AGENT; AROMATASE INHIBITOR; CYTOCHROME P450 3A4; CYTOCHROME P450 INHIBITOR; ENDOTHELIN A RECEPTOR ANTAGONIST; PROTEIN TYROSINE KINASE INHIBITOR;

ALGORITHM; COMPUTER MODEL; COMPUTER PROGRAM; COMPUTER SYSTEM; DRUG CLASSIFICATION; DRUG INFORMATION; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; HIGH THROUGHPUT SCREENING; MELTING POINT; MOLECULAR WEIGHT; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SHORT SURVEY; STATISTICAL ANALYSIS;

EID: 9144270576     PISSN: 13895575     EISSN: None     Source Type: Journal    
DOI: 10.2174/1389557043402982     Document Type: Short Survey

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