IDrug-Target: Predicting the interactions between drug compounds and target proteins in cellular networking via benchmark dataset optimization approach

Journal of Biomolecular Structure and Dynamics

Volumn 33, Issue 10, 2015, Pages 2221-2233

  Xiao, Xuan ^a,b,d   Min, Jian Liang ^a   Lin, Wei Zhong ^a   Liu, Zi ^a   Cheng, Xiang ^a   Chou, Kuo Chen ^c,d  

^a JINGDEZHEN CERAMIC INSTITUTE   (China)

^b ZHEJIANG TEXTILE AND FASHION COLLEGE   (China)

^c KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^d GORDON LIFE SCIENCE INSTITUTE   (United States)

Author keywords

chous PseAAC; iDrug Chl; iDrug Ezy; iDrug GPCR; iDrug NR; molecular fingerprints; NCR; optimized training data set; SMOTE; target jackknife validation

Indexed keywords

CELL NUCLEUS RECEPTOR; G PROTEIN COUPLED RECEPTOR; ION CHANNEL; CELL RECEPTOR; ENZYME; NEW DRUG; PROTEIN BINDING;

ACCURACY; ARTICLE; COMPUTER INTERFACE; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG PROTEIN BINDING; INTERMETHOD COMPARISON; MATHEMATICAL ANALYSIS; PREDICTION; PRIORITY JOURNAL; VALIDATION STUDY; CHEMICAL DATABASE; CHEMISTRY; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; INFORMATION PROCESSING; INTERNET; METABOLISM; MOLECULARLY TARGETED THERAPY; PROCEDURES; QUALITY CONTROL; RECEIVER OPERATING CHARACTERISTIC; SYNTHESIS;

BENCHMARKING; DATABASES, CHEMICAL; DATASETS AS TOPIC; DRUG DESIGN; DRUG DISCOVERY; DRUGS, INVESTIGATIONAL; ENZYMES; HUMANS; INTERNET; ION CHANNELS; MOLECULAR TARGETED THERAPY; PROTEIN BINDING; RECEPTORS, CYTOPLASMIC AND NUCLEAR; RECEPTORS, G-PROTEIN-COUPLED; ROC CURVE; SOFTWARE;

EID: 84938953300     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2014.998710     Document Type: Article

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