Combined usage of ligand- and structure-based virtual screening in the artificial intelligence era
Jiyan Dai, Ziyi Zhou, Yanru Zhao, F.-J. Kong, Zhenwei Zhai, Zhishan Zhu, Jie Cai, Sha Huang, Y. Xu, Tao Sun
Topics & Concepts
ChemistryVirtual screeningLigand (biochemistry)Artificial intelligenceCombinatorial chemistryComputational biologyDrug discoveryBiochemistryComputer scienceReceptorBiologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceClick Chemistry and Applications