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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

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EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning

Ganna Gryn'ova¹, Tristan Bereau², Carolin Müller³

¹School of Chemistry, University of Birmingham, Birmingham B15 2TT, United Kingdom.

Journal of Chemical Information and Modeling

|August 12, 2024

Summary

No abstract available in PubMed .

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