Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

por Leguy, Jules, Glavatskikh, Marta, Cauchy, Thomas, Da Mota, Benoit
Publicado 2021

Dataset’s chemical diversity limits the generalizability of machine learning predictions

por Glavatskikh, Marta, Leguy, Jules, Hunault, Gilles, Cauchy, Thomas, Da Mota, Benoit
Publicado 2019

EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation

por Leguy, Jules, Cauchy, Thomas, Glavatskikh, Marta, Duval, Béatrice, Da Mota, Benoit
Publicado 2020

Machine learning patterns for neuroimaging-genetic studies in the cloud

por Da Mota, Benoit, Tudoran, Radu, Costan, Alexandru, Varoquaux, Gaël, Brasche, Goetz, Conrod, Patricia, Lemaitre, Herve, Paus, Tomas, Rietschel, Marcella, Frouin, Vincent, Poline, Jean-Baptiste, Antoniu, Gabriel, Thirion, Bertrand
Publicado 2014