Prediction of novel and selective TNF-alpha converting enzyme (TACE) inhibitors and characterization of correlative molecular descriptors by machine learning approaches

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 3, 2009, Pages 236-244

  Cong, Yong ^a   Yang, Xue gang ^a   Lv, Wei ^a   Xue, Ying ^a,b  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Inhibitor; Machine learning (ML); Non inhibitor; The support vector machine (SVM); TNF converting enzyme (TACE)

Indexed keywords

BACK-PROPAGATION NEURAL NETWORKS; CLASSIFICATION PREDICTION; CONVERTING ENZYME; CROHN'S DISEASE; CROSS VALIDATION; DESCRIPTORS; DEVELOPED MODEL; DRUG DESIGN; EVALUATION METHOD; FEATURE SELECTION METHODS; INHIBITOR; K-NEAREST NEIGHBORS; MACHINE LEARNING (ML); MACHINE-LEARNING; MOLECULAR DESCRIPTORS; NON-INHIBITOR; PREDICTION ACCURACY; PREDICTION CAPABILITY; RECURSIVE FEATURE ELIMINATION; RHEUMATOID ARTHRITIS; SVM MODEL; THE SUPPORT VECTOR MACHINE (SVM);

DECISION TREES; EDUCATION; ENZYME INHIBITION; ENZYMES; IMAGE RETRIEVAL; MACHINE DESIGN; NEURAL NETWORKS; ROBOT LEARNING;

SUPPORT VECTOR MACHINES;

TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME INHIBITOR;

ARTICLE; ARTIFICIAL NEURAL NETWORK; MACHINE LEARNING; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE;

ADAM PROTEINS; ALGORITHMS; ARTIFICIAL INTELLIGENCE; ENZYME INHIBITORS; HUMANS;

EID: 70349558903     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.08.001     Document Type: Article

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