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Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

Chemistry

Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

M. Moret, I. P. Angona, et al.

Dive into cutting-edge drug design with our exploration of hybrid chemical language models, spearheaded by Michael Moret and team. Discover how we crafted a virtual library of novel PI3Kγ ligands, leading to the identification of potent compounds that inhibit cancer cell pathways.

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