Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery
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DOI: 10.1038/s41467-023-40219-8
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References listed on IDEAS
- Oscar Méndez-Lucio & Benoit Baillif & Djork-Arné Clevert & David Rouquié & Joerg Wichard, 2020. "De novo generation of hit-like molecules from gene expression signatures using artificial intelligence," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
- Anna C. Belkina & Christopher O. Ciccolella & Rina Anno & Richard Halpert & Josef Spidlen & Jennifer E. Snyder-Cappione, 2019. "Automated optimized parameters for T-distributed stochastic neighbor embedding improve visualization and analysis of large datasets," Nature Communications, Nature, vol. 10(1), pages 1-12, December.
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- Tianyu Wu & Min Zhou & Jingcheng Zou & Qi Chen & Feng Qian & Jürgen Kurths & Runhui Liu & Yang Tang, 2024. "AI-guided few-shot inverse design of HDP-mimicking polymers against drug-resistant bacteria," Nature Communications, Nature, vol. 15(1), pages 1-22, December.
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