Recurrent neural network (RNN) model accelerates the development of antibacterial metronidazole derivatives
Nannan Chen, Lijuan Yang, Na Ding, LI Gui-wen, Jiajing Cai, Xiaoli An, Zhijie Wang, Jie Qin, Yuzhen Niu
Abstract
were determined. The results showed that compound 8a-l had obvious inhibitory activity against these four bacteria, which proved the accuracy of our compound generation model.
Topics & Concepts
MetronidazoleRecurrent neural networkComputer scienceComputational biologyArtificial neural networkCombinatorial chemistryAntibioticsChemistryArtificial intelligenceBiologyBiochemistryComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science