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Benoit Da Mota

3PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryReaction engineering (excl. nuclear reactions)Computational chemistry
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Journal

Publications (3)

Sort by Publication Date:
|Oct 03, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization.

Jules Leguy, Marta Glavatskikh, Thomas Cauchy

|Jan 12, 2021
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation.

Jules Leguy, Thomas Cauchy, Marta Glavatskikh

|Jan 12, 2021
Dataset's chemical diversity limits the generalizability of machine learning predictions.

Marta Glavatskikh, Jules Leguy, Gilles Hunault

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Frequent Collaborators

3 joint publications

Marta Glavatskikh

3 joint publications

Jules Leguy

3 joint publications

Thomas Cauchy

1 joint publications

Gilles Hunault

1 joint publications

Béatrice Duval

Frequent Collaborators

3 joint publications

Marta Glavatskikh

3 joint publications

Jules Leguy

3 joint publications

Thomas Cauchy

1 joint publications

Gilles Hunault

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