Olivier T. Taboureau

Paris, 75013, France

Last Updated: 09/26/2026

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Found 69 publications

NextTopDocker: A Large-Scale Docking-Power Benchmark Reveals Limitations of Current End-to-End Machine-Learning Docking and the Strength of Hybrid Rescoring.

NextTopDocker: A Large-Scale Docking-Power Benchmark Reveals Limitations of Current End-to-End Machine-Learning Docking and the Strength of Hybrid Rescoring.

Journal: Journal of medicinal chemistry

Published: April 10, 2026

Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches.

Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches.

Journal: Journal of cheminformatics

Published: March 09, 2026

Synergistic in silico models uncover endocrine and reproductive toxicity of organophosphates.

Synergistic in silico models uncover endocrine and reproductive toxicity of organophosphates.

Journal: iScience

Published: December 04, 2025

QSAR Models for Predicting Oral Bioavailability and Volume of Distribution and Their Application in Mapping the TK Space of Endocrine Disruptors.

QSAR Models for Predicting Oral Bioavailability and Volume of Distribution and Their Application in Mapping the TK Space of Endocrine Disruptors.

Journal: Journal of xenobiotics

Published: August 04, 2025

Assessment of chemical risk factor for breast cancer based on gene expression profiles.

Assessment of chemical risk factor for breast cancer based on gene expression profiles.

Journal: Scientific reports

Published: June 05, 2025

Cell morphology and gene expression: tracking changes and complementarity across time and cell lines.

Cell morphology and gene expression: tracking changes and complementarity across time and cell lines.

Journal: Toxicology and applied pharmacology

Published: May 14, 2025

Computational prediction of mutagenicity through comprehensive cell painting analysis.

Computational prediction of mutagenicity through comprehensive cell painting analysis.

Journal: Mutagenesis

Published: March 19, 2025

HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors.

HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors.

Journal: Journal of cheminformatics

Published: February 21, 2025

Counting cells can accurately predict small-molecule bioactivity benchmarks.

Counting cells can accurately predict small-molecule bioactivity benchmarks.

Journal: Nature communications

Published: February 09, 2025

Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals.

Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals.

Journal: Toxics

Published: August 30, 2024

Prediction of Endocrine-Disrupting Chemicals Related to Estrogen, Androgen, and Thyroid Hormone (EAT) Modalities Using Transcriptomics Data and Machine Learning.

Prediction of Endocrine-Disrupting Chemicals Related to Estrogen, Androgen, and Thyroid Hormone (EAT) Modalities Using Transcriptomics Data and Machine Learning.

Journal: Toxics

Published: June 20, 2024

Pred-O3, a web server to predict molecules, olfactory receptors and odor relationships.

Pred-O3, a web server to predict molecules, olfactory receptors and odor relationships.

Journal: Nucleic acids research

Published: March 06, 2024

Showing 1-12 of 69

Last Updated: 09/26/2026