首页|Liaoning University Reports Findings in Machine Learning (Development of a machi ne learning-based target-specific scoring function for structure-based binding a ffinity prediction for human dihydroorotate dehydrogenase inhibitors)
Liaoning University Reports Findings in Machine Learning (Development of a machi ne learning-based target-specific scoring function for structure-based binding a ffinity prediction for human dihydroorotate dehydrogenase inhibitors)
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New research on Machine Learning is th e subject of a report. According to news originating from Liaoning, People's Rep ublic of China, by NewsRx correspondents, research stated, "Human dihydroorotate dehydrogenase (hDHODH) is a flavin mononucleotide-dependent enzyme that can lim it de novo pyrimidine synthesis, making it a therapeutic target for diseases suc h as autoimmune disorders and cancer. In this study, using the docking structure s of complexes generated by AutoDock Vina, we integrate interaction features and ligand features, and employ support vector regression to develop a target-speci fic scoring function for hDHODH (TSSF-hDHODH)." Our news journalists obtained a quote from the research from Liaoning University , "The Pearson correlation coefficient values of TSSF-hDHODH in the cross-valida tion and external validation are 0.86 and 0.74, respectively, both of which are far superior to those of classic scoring function AutoDock Vina and random fores t (RF) based generic scoring function RF-Score. TSSF-hDHODH is further used for the virtual screening of potential inhibitors in the FDA-Approved & Pharmacopeia Drug Library. In conjunction with the results from molecular dynami cs simulations, crizotinib is identified as a candidate for subsequent structura l optimization."
LiaoningPeople's Republic of ChinaAsiaCyborgsDehydrogenaseEmerging TechnologiesEnzymes and CoenzymesMachin e Learning
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