David Rouquié

4PUBLICATIONS
10CO-AUTHORS
Biomolecular modelling and designChemical engineering designCheminformatics and quantitative structure-activity relationshipsComputational chemistry
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Publications (4)

|May 02, 2025
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.

Srijit Seal, Manas Mahale, Miguel García-Ortegón

|Nov 08, 2024
Cell Painting and Chemical Structure Read-Across Can Complement Each Other for Rat Acute Oral Toxicity Prediction in Chemical Early Derisking.

Fabrice Camilleri, Joanna M Wenda, Claire Pecoraro-Mercier

|Aug 31, 2023
Assessment of Drug-Induced Liver Injury through Cell Morphology and Gene Expression Analysis.

Vanille Lejal, Natacha Cerisier, David Rouquié

|Feb 09, 2019
Stacked Generalization with Applicability Domain Outperforms Simple QSAR on in Vitro Toxicological Data.

Ingrid Grenet, Kevin Merlo, Jean-Paul Comet

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Frequent Collaborators

1 joint publications

Natacha Cerisier

1 joint publications

Olivier Taboureau

1 joint publications

Srijit Seal

1 joint publications

Manas Mahale