A bottom-up approach to find lead compounds in expansive chemical spaces

A bottom-up approach to find lead compounds in expansive chemical spaces

Abstract Drug discovery starts with the identification of a “hit” compound that, following a long and expensive optimization process, evolves into a drug candidate. Bigger screening collections increase the odds of finding more and better hits. For this reason, large pharmaceutical companies have in...

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Main Authors: Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar, Arnau Comajuncosa-Creus, Adrià Cabello, Carme Labranya, Carmen Escudero, Tian V. Tian, Inna Khutorianska, Dmytro S. Radchenko, Yurii S. Moroz, Lucas Defelipe, David Ruiz-Carrillo, Maria Garcia-Alai, Robert Schmidt, Matthias Rarey, Patrick Aloy, Carles Galdeano, Jordi Juárez-Jiménez, Xavier Barril
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-025-01610-2
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https://doi.org/10.1038/s42004-025-01610-2

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