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Multi-Objective Drug Design Based on Graph-Fragment Molecular Representation and Deep Evolutionary Learning
2022
Frontiers in Pharmacology
Drug discovery is a challenging process with a huge molecular space to be explored and numerous pharmacological properties to be appropriately considered. Among various drug design protocols, fragment-based drug design is an effective way of constraining the search space and better utilizing biologically active compounds. Motivated by fragment-based drug search for a given protein target and the emergence of artificial intelligence (AI) approaches in this field, this work advances the field of
doi:10.3389/fphar.2022.920747
pmid:35860028
pmcid:PMC9291509
fatcat:g6xq4hcw3jetvb43x2dtugvd6i