Skip to content

Communications

Oral presentations

  1. Deep-Learning Profile QSAR Modeling to Impute In Vitro Assay Results and Predict Chemical Carcinogenesis Mechanisms. SOT 2024, 11 March 2024, Salt Lake City, USA.
  2. Modern In Vitro Imputation Modeling and Machine Learning to Predict Chemical Carcinogenicity. SOT 2024, 11 March 2024, Salt Lake City, USA.
  3. ChemMaps.com V2 – Exploring the Environmental Chemical Universe. SERMACS, 25–28 October 2023, Durham, USA.
  4. ChemMaps.com V2 – Exploring the Environmental Chemical Universe. ASCCT annual meeting, 22–25 October 2023, Silver Spring, USA.
  5. Deep Learning Profile QSAR Modeling to Impute In Vitro Assay Results and Predict Chemical Carcinogenesis Mechanisms. 12th World Congress on Alternatives and Animal Use in the Life Sciences, 27–31 August 2023, Niagara Falls, Canada.
  6. ChemMaps.com V2 – Exploring the Environmental Chemical Universe. Summer school of cheminformatics, 27 June 2023, University Paris Cité, France — invited speaker.
  7. ChemMaps.com, Tox21BodyMap and InterPred: three webtools to explore the Tox21 data. NIEHS seminar, January 2020, Durham, USA.
  8. Exploration of PFAS chemical space using www.chemmaps.com. Per- and Polyfluoroalkyl Substances (PFAS): Challenges and Opportunities meeting, 13 December 2019, Yale University, USA.
  9. ChemMaps version 2, exploration of an extended chemical universe of environmental chemicals. ACS meeting, 30 March 2019, Orlando, USA.
  10. High-Throughput Screening to Predict Chemical-Assay Interference. ACS meeting, 30 March 2019, Orlando, USA.
  11. Exploring chemical space using ChemMaps.com. Environment Protection Agency, 1 May 2018, Research Triangle Park, Durham, USA.
  12. Exploring chemical space using ChemMaps.com. ACS meeting, 18 March 2018, New Orleans, USA.
  13. Development of cheminformatics methods to predict biological profile, drug optimization and visualize chemical spaces. Invited speaker NIEHS, 15 August 2018, Research Triangle Park, Durham, USA.
  14. Structural isosteres of phosphate groups in the protein data bank. ACS meeting, 20 August 2017, Washington DC, USA.
  15. Modeling the protein-ligand interaction. Lecture for students in master In Silico Drug design, 21 October 2016, Paris, France.
  16. PockDrug: a new pocket druggability prediction able to overcome pocket uncertainties. ISB winter school 2014, 24–27 November 2014, Levi, Finland.
  17. Druggability prediction performances related to different pocket estimations. Summer school in chemoinformatic, 23–27 June 2014, Strasbourg, France.

Poster presentations

  1. Benchmark of Multitask Deep Learning Methods to Predict Strain-specific Mutagenicity Models. SOT 2025, 18 March 2025, Orlando, USA.
  2. Mapping Tox21/ToxCast HTS Data to Key Characteristics of Carcinogens. ASCCT annual meeting, 28–30 October 2024, RTP, USA.
  3. Machine Learning-Based Development of Cytotoxicity Flags Within the Tox21/ToxCast Assays. SOT 2024, 13 March 2024, Salt Lake City, USA.
  4. Deep Learning Profile QSAR Modeling to Impute In Vitro Assay Results and Predict Chemical Carcinogenesis Mechanisms. ASCCT annual meeting, 22–25 October 2023, Silver Spring, USA.
  5. ChemMaps.com V2 – Exploring the Environmental Chemical Universe. 12th World Congress on Alternatives and Animal Use in the Life Sciences, 27–31 August 2023, Niagara Falls, Canada.
  6. ChemMaps.com V2: Exploring the Environmental Chemical Universe. SOT 2023, 19–23 March 2023, Nashville, USA.
  7. Applying In Silico Toxicity Models across the Tox21 Chemical Universe. SOT 2023, 19–23 March 2023, Nashville, USA.
  8. Cheminformatics analysis of chemicals that increase estrogen and progesterone synthesis for a breast cancer risk assessment. SOT 2022, 28 March 2022, San Diego, USA — CTSS Top 5 poster.
  9. High-Throughput Screening to Predict Chemical-Assay Interference. NIEHS Science Days 2019, October 2019, RTP, USA.
  10. High-Throughput Screening to Predict Chemical-Assay Interference. NC-SOT 2019, 7 October 2019, RTP, USA.
  11. High-Throughput Screening to Predict Chemical-Assay Interference. SOT 2019, 10 March 2019, Baltimore, USA.
  12. Exploring chemical space using ChemMaps.com. NIEHS Science Days, December 2018, RTP, USA.
  13. Exploring chemical space using ChemMaps.com. JOBIM 2018 (Journées Ouvertes Biologie Informatique Mathématiques), 3–6 July 2018, Marseille, France.
  14. RealityConvert: A tool for preparing 3D models of biochemical structures for AR and VR. ACS meeting, 20 August 2017, Washington DC, USA.
  15. Development of computational tools that place and assess desirability of water molecules in protein binding sites: Application for GPCR. GLISTEN meeting 2016, 26–27 September 2016, Prague, Czech Republic.
  16. Development of computational tools that place and assess desirability of water molecules in protein binding sites. ISB winter school 2015, 23–25 November 2015, Levi, Finland.
  17. Salt bridges in protein ligand interactions. JOBIM 2015 (Journées Ouvertes Biologie Informatique Mathématiques), 6–9 July 2015, Clermont-Ferrand, France.
  18. Phosphate and ribose structural isosteric replacement in the Protein Data Bank. XXème Young Research Fellows Meeting S.C.T, 4–7 February 2015, Romainville, France.
  19. Druggability prediction performances related to different pocket estimations & Phosphate and ribose structural isosteric replacement in the Protein Data Bank. European Conference in Computational Biology 2014 (ECCB2014) and European Student Council Symposium 2014, 7–10 September 2014, Strasbourg, France.
  20. Druggability prediction performances related to different pocket estimations. Summer school in chemoinformatic, 23–27 June 2014, Strasbourg, France.
  21. Salt bridges in protein ligand interactions. ISB winter school 2013, 9–12 December 2013, Saariselkä, Finland.
  22. Druggability pocket prediction from apo and holo proteins. JOBIM 2013 (Journées Ouvertes Biologie Informatique Mathématiques), 1–4 July 2013, Toulouse, France.
  23. Statistical models predicting the «druggability» of protein pockets. Young Research Fellows Meeting S.C.T, 7–8 February 2013, Romainville, France.

Presentations available on SlideShare. Posters available on ResearchGate.