Molecular target prediction and pharmacological potential of ethyl 2-[(2-chloroethoxy)(phenyl)phosphoryl]acetate
Анотація
In recent years, in silico methods for predicting the biological activity of small molecules have become an integral part of the early stages of drug development. The use of computational approaches can significantly reduce the time and cost associated with experimental screening, as well as increase the probability of successful identification of promising candidates.
Посилання
Gfeller D., Grosdidier A., Wirth M. et al. SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Research, 2014, 42(W1), W32–W38.
Bento A. P., Gaulton A., Hersey A. et al. The ChEMBL bioactivity database: an update. Nucleic Acids Research, 2014, 42(D1), D1083–D1090.
He T., Caba K., Ballester P. J.A precise comparison of molecular target prediction methods. Drug Discovery Today: Disease Models, 2025. This paper systematically compares current methods for predicting biological targets, including MolTarPred, PPB2, TargetNet, etc., with an analysis of their efficacy on a set of approved drugs.
