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

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.... show more
Introduction
Literature Review
Methodology
Key Findings
Discussion
Conclusion
Limitations
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