How to recognize and workaround pitfalls in QSAR studies: A critical review

Current Medicinal Chemistry

Volumn 16, Issue 32, 2009, Pages 4297-4313

  Scior, T ^a   Medina Franco, J L ^b   Do, Q T ^c   Martinez Mayorga K ^b   Yunes Rojas, J A ^a   Bernard, P ^c  

^a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

^b TORREY PINES INSTITUTE FOR MOLECULAR STUDIES   (United States)

^c GreenPharma SA   (France)

Author keywords

Chemoinformatics; Problems; Quantitative structure activity relationships; Regression analysis; Solutions; Virtual screening

Indexed keywords

ANALYTICAL ERROR; ARTIFACT REDUCTION; CAUSAL MODELING; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; COMPUTER SIMULATION; DATA ANALYSIS; DATA SYNTHESIS; EXTERNAL VALIDITY; FACTORIAL ANALYSIS; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTIAL LEAST SQUARES REGRESSION; PREDICTIVE VALIDITY; PREDICTOR VARIABLE; PRINCIPAL COMPONENT ANALYSIS; PROCESS OPTIMIZATION; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STATISTICAL DISTRIBUTION; STATISTICAL MODEL; STATISTICAL SIGNIFICANCE; STRUCTURAL EQUATION MODELING; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS; VIRTUAL REALITY;

ALGORITHMS; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS;

EID: 70450181710     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986709789578213     Document Type: Review

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