Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors

Pharmaceutical Research

Volumn 26, Issue 9, 2009, Pages 2216-2224

  Chekmarev, Dmitriy ^a   Kholodovych, Vladyslav ^a   Kortagere, Sandhya ^a,d   Welsh, William J ^a,c   Ekins, Sean ^b  

^a RUTGERS ROBERT WOOD JOHNSON MEDICAL SCHOOL   (United States)

^b Collaborations in Chemistry ^*  (United States)

^c UNIVERSITY OF MARYLAND   (United States)

^d DREXEL UNIVERSITY COLLEGE OF MEDICINE   (United States)

Author keywords

Acetylcholinesterase; Docking; Machine learning; Molecular operating environment; Quantitative structure activity relationship; Shape signatures descriptors; Support vector classification; Support vector machine; Support vector regression

Indexed keywords

CHOLINESTERASE INHIBITOR;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; DRUG BINDING; MACHINE LEARNING; MOLECULAR DOCKING; PRIORITY JOURNAL; SUPPORT VECTOR MACHINE;

CHOLINESTERASE INHIBITORS; HUMANS; REGRESSION ANALYSIS;

EID: 68149125488     PISSN: 07248741     EISSN: 1573904X     Source Type: Journal    
DOI: 10.1007/s11095-009-9937-8     Document Type: Article

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