The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling.
CONCLUSION: As huge amounts of data continue to accumulate in the domains of the chemical, biological and biomedical sciences, it has become clear that drug discovery must be viewed as a multi-scale optimization process. An ideal multi-scale approach should integrate diverse chemical and biological data and also serve as a knowledge generator, enabling the design of potentially optimal chemicals that may become therapeutic agents.
PMID: 32013845 [PubMed - as supplied by publisher]
Source: Mini Reviews in Medicinal Chemistry - Category: Chemistry Authors: Kleandrova VV, Speck-Planche A Tags: Mini Rev Med Chem Source Type: research