Publications by authors named "Alexandre Borrel"

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OrbiTox: a visualization platform for NAMs and read-across exploration of multi-domain data.
Austin Ross, Vijay Gombar, Alexander Sedykh, Adrian J Green, Alexandre Borrel

Front Pharmacol· December 2025

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De-risking seizure liability: integrating adverse outcome pathways (AOPs), new approach methodologies (NAMs), and in silico approaches while highlighting knowledge gaps.
Mamta Behl, Agnes Karmaus, Mohan Rao, Thomas Lane, Joshua Harris, Alexandre Borrel

Toxicol Sci· October 2025

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BioBricks.ai: a versioned data registry for life sciences data assets.
Yifan Gao, Zakariyya Mughal, Jose A Jaramillo-Villegas, Marie Corradi, Alexandre Borrel

Front Artif Intell· September 2025

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BioBricks.ai: A Versioned Data Registry for Life Sciences Data Assets.
Yifan Gao, Zakariyya Mughal, Jose A Jaramillo-Villegas, Marie Corradi, Alexandre Borrel

ArXiv· August 2024

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Quantifying the Benefits of Imputation over QSAR Methods in Toxicology Data Modeling.
Thomas M Whitehead, Joel Strickland, Gareth J Conduit, Alexandre Borrel, Daniel Mucs

J Chem Inf Model· April 2024

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Computational application of internationally harmonized defined approaches to skin sensitization: DASS App.
Kimberly T To, Judy Strickland, Emily Reinke, Alexandre Borrel, Jim Truax

BMC Bioinformatics· January 2024

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ChemMaps.com v2.0: exploring the environmental chemical universe.
Alexandre Borrel, Mike Conway, Sue Z Nolte, Aswani Unnikrishnan, Charles P Schmitt

Nucleic Acids Res· July 2023

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Cheminformatics analysis of chemicals that increase estrogen and progesterone synthesis for a breast cancer hazard assessment.
Alexandre Borrel, Ruthann A Rudel

Sci Rep· November 2022

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Response to "Comment on 'Application of an Assay to Identify Chemicals That Increase Estradiol and Progesterone Synthesis and Are Potential Breast Cancer Risk Factors'".
Ruthann A Rudel, Bethsaida Cardona, Alexandre Borrel, Jennifer E Kay

Environ Health Perspect· May 2022

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High-Throughput Chemical Screening and Structure-Based Models to Predict hERG Inhibition.
Shagun Krishna, Alexandre Borrel, Ruili Huang, Jinghua Zhao, Menghang Xia

Biology (Basel)· January 2022

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Yale School of Public Health Symposium: An overview of the challenges and opportunities associated with per- and polyfluoroalkyl substances (PFAS).
Anna L Hagstrom, Paul Anastas, Andrea Boissevain, Alexandre Borrel, Nicole C Deziel

Sci Total Environ· July 2021

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Cheminformatics Analysis of Fluoroquinolones and their Inhibition Potency Against Four Pathogens.
Alexandre Borrel, Christian Melander, Denis Fourches

Mol Inform· May 2021

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The Key Characteristics of Carcinogens: Relationship to the Hallmarks of Cancer, Relevant Biomarkers, and Assays to Measure Them.
Martyn T Smith, Kathryn Z Guyton, Nicole Kleinstreuer, Alexandre Borrel, Andres Cardenas

Cancer Epidemiol Biomarkers Prev· October 2020

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InterPred: a webtool to predict chemical autofluorescence and luminescence interference.
Alexandre Borrel, Kamel Mansouri, Sue Nolte, Trey Saddler, Mike Conway

Nucleic Acids Res· July 2020

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Tox21BodyMap: a webtool to map chemical effects on the human body.
Alexandre Borrel, Scott S Auerbach, Keith A Houck, Nicole C Kleinstreuer

Nucleic Acids Res· July 2020

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Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?
Phyo Phyo Kyaw Zin, Alexandre Borrel, Denis Fourches

J Chem Inf Model· July 2020

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High-Throughput Screening to Predict Chemical-Assay Interference.
Alexandre Borrel, Ruili Huang, Srilatha Sakamuru, Menghang Xia, Anton Simeonov

Sci Rep· March 2020

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Exploring drug space with ChemMaps.com.
Alexandre Borrel, Nicole C Kleinstreuer, Denis Fourches

Bioinformatics· November 2018

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RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality.
Alexandre Borrel, Denis Fourches

Bioinformatics· December 2017

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Characterization of Ionizable Groups' Environments in Proteins and Protein-Ligand Complexes through a Statistical Analysis of the Protein Data Bank.
Alexandre Borrel, Anne-Claude Camproux, Henri Xhaard

ACS Omega· October 2017

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Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.
Géraldine Caumes, Alexandre Borrel, Hiba Abi Hussein, Anne-Claude Camproux, Leslie Regad

Mol Inform· September 2017

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Structural Isosteres of Phosphate Groups in the Protein Data Bank.
Yuezhou Zhang, Alexandre Borrel, Leo Ghemtio, Leslie Regad, Gustav Boije Af Gennäs

J Chem Inf Model· March 2017

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Global vision of druggability issues: applications and perspectives.
Hiba Abi Hussein, Colette Geneix, Michel Petitjean, Alexandre Borrel, Delphine Flatters

Drug Discov Today· February 2017

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Pharmacophore Model To Discover OX1 and OX2 Orexin Receptor Ligands.
Ainoleena Turku, Alexandre Borrel, Teppo O Leino, Lasse Karhu, Jyrki P Kukkonen

J Med Chem· September 2016

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PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins.
Hiba Abi Hussein, Alexandre Borrel, Colette Geneix, Michel Petitjean, Leslie Regad

Nucleic Acids Res· July 2015

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