SVM based descriptor selection and classification of neurodegenerative disease drugs for pharmacological modeling

Molecular Informatics

Volumn 32, Issue 3, 2013, Pages 241-249

  Shahid, Mohammad ^a,b   Shahzadcheema, Muhammad ^a   Klenner, Alexander ^b   Younesi, Erfan ^b   Hofmann Apitius, Martin ^b  

^a Rheinische Friedrich Wilhelms Universität   (Germany)

^b FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

Author keywords

Machine learning; Molecular descriptors (features) selection; NDD focused library design; SVM RFE

Indexed keywords

COMPUTATIONAL METHODS; DISCRIMINANT ANALYSIS; FEATURE SELECTION; NEURODEGENERATIVE DISEASES;

DESCRIPTORS; FEATURES SELECTION; LIBRARY DESIGNS; MACHINE-LEARNING; MOLECULAR DESCRIPTOR (FEATURE) SELECTION; MOLECULAR DESCRIPTORS; NEURODEGENERATIVE DISORDER FOCUSED LIBRARY DESIGN; NEURODEGENERATIVE DISORDERS; SUPPORT VECTOR MACHINE-RFE; SUPPORT VECTORS MACHINE;

SUPPORT VECTOR MACHINES;

ALPHA TOCOPHEROL; APOMORPHINE; CLADRIBINE; DESOGESTREL; DIPHENHYDRAMINE; DRONABINOL; ESTRIOL; LAMIVUDINE; MESTRANOL; PENTAZOCINE; PREDNISONE; PROPANTHELINE BROMIDE;

ACCURACY; ARTICLE; BINDING SITE; CALCULATION; CLASSIFICATION ALGORITHM; CLASSIFIER; COMPUTER MODEL; DEGENERATIVE DISEASE; DRUG BINDING; DRUG CLASSIFICATION; DRUG CONFORMATION; DRUG MECHANISM; DRUG REPOSITIONING; DRUG STRUCTURE; DRUG TARGETING; FOOD AND DRUG ADMINISTRATION; KERNEL METHOD; KNOWLEDGE BASE; PRIORITY JOURNAL; RECEIVER OPERATING CHARACTERISTIC; SOLVATION; SUPPORT VECTOR MACHINE;

EID: 84875340644     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201200116     Document Type: Article

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