Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Hamza Tajmouati"'
Autor:
Maud Parrot, Hamza Tajmouati, Vinicius Barros Ribeiro da Silva, Brian Ross Atwood, Robin Fourcade, Yann Gaston-Mathé, Nicolas Do Huu, Quentin Perron
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)
Abstract Generative models are frequently used for de novo design in drug discovery projects to propose new molecules. However, the question of whether or not the generated molecules can be synthesized is not systematically taken into account during
Externí odkaz:
https://doaj.org/article/c00070d8eba741aeb536bbb3910125d4
Autor:
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
Publikováno v:
Journal of computational chemistryREFERENCES. 43(10)
Multi-parameter optimization (MPO) is a major challenge in new chemical entity (NCE) drug discovery. Recently, promising results were reported for deep learning generative models applied to de novo molecular design, but, to our knowledge, until now n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::028ac16384184e88d4be6b26edbf9602
https://pubmed.ncbi.nlm.nih.gov/35218219
https://pubmed.ncbi.nlm.nih.gov/35218219