By means of the approach of optimizing training datasets, the webserver iDrug-Target was developed for predicting drug-target interaction. It contains four predictors: iDrug-GPCR, iDrug-Chl, iDrug-Ezy, and iDrug-NR, specialized for indentying the interactions of drug compounds with GPCRs (G protein-coupled receptors), ion channels, enzymes, and NR (nuclear receptors), respectively. Rigorous cross-validations on a set of experiment-confirmed datasets have indicated that these new predictors remarkably outperformed their counterparts in the existing prediction methods.
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J Biomol Struct Dyn. 2014 Dec 16:1-27. [Epub ahead of print]
iDrug-Target: Predicting the interactions between drug compounds and target proteins in cellular networking via benchmark dataset optimization approach.
Xiao X1, Min JL, Lin WZ, Liu Z, Cheng X, Chou KC.