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Integrating synthetic accessibility with AI-based generative drug design.
J Cheminform. 2023 Sep 19;15(1):83. doi: 10.1186/s13321-023-00742-8.
J Cheminform. 2023.
PMID: 37726842
Free PMC article.
Deep generative models for ligand-based de novo design applied to multi-parametric optimization.
Perron Q, Mirguet O, Tajmouati H, Skiredj A, Rojas A, Gohier A, Ducrot P, Bourguignon MP, Sansilvestri-Morel P, Do Huu N, Gellibert F, Gaston-Mathé Y.
Perron Q, et al.
J Comput Chem. 2022 Apr 15;43(10):692-703. doi: 10.1002/jcc.26826. Epub 2022 Feb 26.
J Comput Chem. 2022.
PMID: 35218219
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Se-phenyl prop-2-eneselenoate: an ethylene equivalent for Diels-Alder reactions.
Jung ME, Perez F, Regan CF, Yi SW, Perron Q.
Jung ME, et al. Among authors: perron q.
Angew Chem Int Ed Engl. 2013 Feb 11;52(7):2060-2. doi: 10.1002/anie.201208294. Epub 2013 Jan 11.
Angew Chem Int Ed Engl. 2013.
PMID: 23315953
No abstract available.
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