Deep generative models for ligand-based de novo design applied to multi-parametric optimization

Quentin Perron, Olivier Mirguet, Hamza Tajmouati, Adam Skiredj, Anne Rojas, Arnaud Gohier, Pierre Ducrot, Marie-Pierre Bourguignon, Patricia Sansilvestri-Morel, Nicolas Do Huu, Françoise Gellibert, Yann Gaston-Mathé. Deep generative models for ligand-based de novo design applied to multi-parametric optimization. Journal of Computational Chemistry, 43(10):692-703, 2022. [doi]

Authors

Quentin Perron

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Olivier Mirguet

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Hamza Tajmouati

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Adam Skiredj

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Anne Rojas

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Arnaud Gohier

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Pierre Ducrot

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Marie-Pierre Bourguignon

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Patricia Sansilvestri-Morel

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Nicolas Do Huu

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Françoise Gellibert

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Yann Gaston-Mathé

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