How to acquire new biological activities in old compounds by computer prediction

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 11, 2002, Pages 819-824

  Poroikov, V V ^a   Filimonov, D A ^a  

^a INSTITUTE OF BIOMEDICAL CHEMISTRY   (Russian Federation)

Author keywords

Biological activity spectra; Computer prediction; Drug efficacy and safety; Lead finding; New drug indication; PASS

Indexed keywords

FORECASTING; SYNTHESIS (CHEMICAL);

BIOLOGICAL ACTIVITY SPECTRUM; COMPUTER PREDICTIONS; DRUG DEVELOPMENT; DRUG EFFICACY; DRUG RESEARCH; DRUG SAFETY; LEAD FINDING; NEW DRUG INDICATION; PASS; SPECTRA'S;

BIOACTIVITY;

ACARICIDE; ACETAZOLAMIDE; AGENTS ACTING ON THE EYE; ANGIOGENESIS INHIBITOR; ANTICONVULSIVE AGENT; ANTIGLAUCOMA AGENT; ANTIRHEUMATIC AGENT; CARBONATE DEHYDRATASE INHIBITOR; CHEMICAL COMPOUND; DIURETIC AGENT; IMATINIB; INTERLEUKIN 1 RECEPTOR BLOCKING AGENT; MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR; MUSCLE RELAXANT AGENT; NOOTROPIC AGENT; PROSTAGLANDIN RECEPTOR BLOCKING AGENT; PROTEIN KINASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; TUBERCULOSTATIC AGENT; URICOSURIC AGENT;

ACCURACY; ANALGESIC ACTIVITY; ANTIINFLAMMATORY ACTIVITY; ANTINEOPLASTIC ACTIVITY; ARTICLE; CARCINOGENICITY; COMPUTER PREDICTION; COMPUTER PROGRAM; CONTROLLED STUDY; DATA BASE; DRUG ACTIVITY; DRUG DEVELOPMENT; DRUG MECHANISM; DRUG RESEARCH; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; MUTAGENICITY; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION;

EID: 0037499669     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023836829456     Document Type: Article

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