TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

• Published in: Journal of computer-aided molecular design Vol. 30; no. 5; pp. 413 - 424
• Main Authors: Yao, Zhi-Jiang, Dong, Jie, Che, Yu-Jing, Zhu, Min-Feng, Wen, Ming, Wang, Ning-Ning, Wang, Shan, Lu, Ai-Ping, Cao, Dong-Sheng
• Format: Journal Article
• Language: English
• Published: Cham Springer International Publishing 01.05.2016; Springer Nature B.V
• Subjects: Algorithms; Animal Anatomy; Bayes Theorem; Chemistry; Chemistry and Materials Science; Computer Applications in Chemistry; Design analysis; Drug Discovery; Drug Interactions; Drug-Related Side Effects and Adverse Reactions; Drugs; Fingerprints; Genomes; Histology; Humans; Internet; Mathematical models; Mode of action; Models, Theoretical; Morphology; Pharmaceutical Preparations - chemistry; Pharmaceutical Preparations - metabolism; Physical Chemistry; Prediction models; Profiling; Protein Binding; Proteins; Proteins - chemistry; Proteins - metabolism; Public health; Servers; Side effects; Software; Toxicity; Drug–target interaction; Multi-target SAR; Naïve Bayes; SAR models; Web server

Drug–target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug–drug interactions, and drug mode of actions. Therefore, it is of high importance to reliabl...