iDrug-Target: predicting the interactions between drug compounds and target proteins in cellular networking via benchmark dataset optimization approach.

Xiao, Xuan; Min, Jian-Liang; Lin, Wei-Zhong; Liu, Zi; Cheng, Xiang; Chou, Kuo-Chen

Xiao, Xuan; Min, Jian-Liang; Lin, Wei-Zhong; Liu, Zi; Cheng, Xiang; Chou, Kuo-Chen.

Affiliation

Xiao X; a Computer Department , Jing-De-Zhen Ceramic Institute , Jing-De-Zhen 333046 , China.

J Biomol Struct Dyn ; 33(10): 2221-33, 2015.

Article in En | MEDLINE | ID: mdl-25513722

Subject(s)

Drugs, Investigational/chemistry; Enzymes/chemistry; Ion Channels/chemistry; Receptors, Cytoplasmic and Nuclear/chemistry; Receptors, G-Protein-Coupled/chemistry; Software; Benchmarking; Databases, Chemical; Datasets as Topic; Drug Design; Drug Discovery; Drugs, Investigational/chemical synthesis; Enzymes/metabolism; Humans; Internet; Ion Channels/metabolism; Molecular Targeted Therapy/methods; Protein Binding; ROC Curve; Receptors, Cytoplasmic and Nuclear/metabolism; Receptors, G-Protein-Coupled/metabolism

Key words

NCR; SMOTE; chou's PseAAC; iDrug-Chl; iDrug-Ezy; iDrug-GPCR; iDrug-NR; molecular fingerprints; optimized training data-set; target-jackknife validation

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Software / Drugs, Investigational / Receptors, Cytoplasmic and Nuclear / Receptors, G-Protein-Coupled / Enzymes / Ion Channels Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: J Biomol Struct Dyn Year: 2015 Document type: Article Affiliation country: China Country of publication: United kingdom

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