Prediction of novel and selective TNF-alpha converting enzyme (TACE) inhibitors and characterization of correlative molecular descriptors by machine learning approaches

• Published in: Journal of molecular graphics & modelling Vol. 28; no. 3; pp. 236 - 244
• Main Authors: Cong, Yong, Yang, Xue-gang, Lv, Wei, Xue, Ying
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.10.2009
• Subjects: ADAM Proteins - antagonists & inhibitors; ADAM17 Protein; Algorithms; Artificial Intelligence; Enzyme Inhibitors - analysis; Humans; Inhibitor; Machine learning (ML); Non-inhibitor; The support vector machine (SVM); TNF-α converting enzyme (TACE); Machine learning (ML); Inhibitor; TNF-α converting enzyme (TACE); Non-inhibitor; The support vector machine (SVM)

The inhibition of TNF-α converting enzyme (TACE) has been explored as a feasible therapy for the treatment of rheumatoid arthritis (RA) and Crohn's disease (CD). Recently, large numbers of novel and selective TACE inhibitors have been reported. It is desirable to develop machine learning (ML) m...