Recent advances in chemometric methodologies for QSAR studies

Current Computer-Aided Drug Design

Volumn 2, Issue 3, 2006, Pages 255-266

  Lin, Wei Qi ^a   Jiang, Jian Hui ^a   Wu, Hai Long ^a   Shen, Guo Li ^a   Yu, Ru Qin ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Artificial neural networks; Chemometrics; Computer aided drug design; Genetic algorithm; Particle swarm optimization; QSAR; Support vector machine; Variable selection

Indexed keywords

COMPUTATIONAL CHEMISTRY; FEATURE SELECTION; MOLECULAR GRAPHICS; NEURAL NETWORKS; PARTICLE SWARM OPTIMIZATION (PSO);

CHEMOMETRICES; COMPUTER AIDED DRUG DESIGN; FEATURES SELECTION; PARTICLE SWARM; PARTICLE SWARM OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; SUPPORT VECTORS MACHINE; SWARM OPTIMIZATION; VARIABLES SELECTIONS;

GENETIC ALGORITHMS;

2 [(3 METHYL 2,5 DIOXO (3 PYRROLINYL))AMINO] 4 (TRIFLUOROMETHY) PYRIMIDINE 5 CARBOXYLIC ACID; ANTIFILARIAL AGENT; ANTILEUKEMIC AGENT; BENZODIAZEPINE DERIVATIVE; CARBONATE DEHYDRATASE II; CITRININ; PROTEIN INHIBITOR; QUINONE DERIVATIVE; UNCLASSIFIED DRUG;

ANTIMICROBIAL ACTIVITY; ANTINEOPLASTIC ACTIVITY; ARTIFICIAL NEURAL NETWORK; AUTOMATION; BIOLOGICAL ACTIVITY; CHEMOMETRICS; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CORRELATION ANALYSIS; DRUG DESIGN; GENETIC ALGORITHM; MOLECULAR MODEL; MULTIPLE LINEAR REGRESSION ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; PROBABILITY; PROCESS OPTIMIZATION; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SIGNAL NOISE RATIO; STATISTICAL MODEL; VALIDATION PROCESS;

EID: 33748651868     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340906778226418     Document Type: Review

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