Leveraging molecular structure and bioactivity with chemical language models for de novo drug design
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DOI: 10.1038/s41467-022-35692-6
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- Megan M. Kaneda & Karen S. Messer & Natacha Ralainirina & Hongying Li & Christopher J. Leem & Sara Gorjestani & Gyunghwi Woo & Abraham V. Nguyen & Camila C. Figueiredo & Philippe Foubert & Michael C. , 2016. "PI3Kγ is a molecular switch that controls immune suppression," Nature, Nature, vol. 539(7629), pages 437-442, November.
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Cited by:
- Laura Isigkeit & Tim Hörmann & Espen Schallmayer & Katharina Scholz & Felix F. Lillich & Johanna H. M. Ehrler & Benedikt Hufnagel & Jasmin Büchner & Julian A. Marschner & Jörg Pabel & Ewgenij Proschak, 2024. "Automated design of multi-target ligands by generative deep learning," Nature Communications, Nature, vol. 15(1), pages 1-14, December.
- Kenneth Atz & Leandro Cotos & Clemens Isert & Maria Håkansson & Dorota Focht & Mattis Hilleke & David F. Nippa & Michael Iff & Jann Ledergerber & Carl C. G. Schiebroek & Valentina Romeo & Jan A. Hiss , 2024. "Prospective de novo drug design with deep interactome learning," Nature Communications, Nature, vol. 15(1), pages 1-18, December.
- Alessio Fallani & Leonardo Medrano Sandonas & Alexandre Tkatchenko, 2024. "Inverse mapping of quantum properties to structures for chemical space of small organic molecules," Nature Communications, Nature, vol. 15(1), pages 1-14, December.
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