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Blogs & Media

Presentations

2023

    Structure-based generative AI for de novo drug design 

    Presenter: Matthew Medcalf

    Molecule generation under the constraint of synthesizability

    Presenter: Brian Atwood

    Makya and modern virtual hit-finding: Ultra-large libraries, scaffold-hopping, and ensuring synthesizability with Spaya

    Presenter: Brian Atwood

    Panel Discussion: How artificial intelligence is transforming drug discovery, design, and development

    Presenter: Yann Gaston-Mathé

    The power of active learning in drug discovery: How DockAI can revolutionize hit discovery

    Presenter: Maud Jusot

    Yes, you should use AI for medicinal chemistry!

    Presenter: Quentin Perron

    AI exploration in chemoinformatics

    Presenter: Brice Hoffmann

    AI-driven de novo PROTAC design and synthetic planning

    Presenter: Hideyoshi Fuji

    From chatbots to cures: Unlocking the potential of AI for medicinal chemists

    Presenter: Matthew Medcalf

        2022

        Accelerating the drug discovery process with AI-driven automation technologies: De novo design, retrosynthesis and scheduling

        Presenter: Rohit Arora

          Interpreting quantitative structure-activity relationship models to guide drug discovery

          Presenter: Rohit Arora

          Evaluating, benchmarking, and comparing computer-aided synthesis planning software tools

          Presenter: Brian Atwood

          Structure-guided de novo drug design using deep generative modeling

          Presenter: Brian Atwood

          AI for de novo drug design: Real-life applications of compound generation under synthetic constraints for drug discovery

          Presenter: Quentin Perron

          Synergetic drug design using AI and automation

          Presenter: Sree Vadlamudi

          Representing, predicting, and generating simple and complex peptides

          Presenter: Brice Hoffman

          How can medicine benefit from AI?: Drug Discovery

          Presenter: Nicolas Do Huu

          Representing, predicting, and generating simple and complex peptides

          Presenter: Massina Abderrahmane

          Generative Models to Novel Compounds: Multi-Parametric Optimisation and Synthetic Accessibility

          Presenter: Sree Vadlamudi

           

          2021
          • SMR:

          The reality of Artificial Intelligence in drug discovery

          Presenter: Quentin Perron

          • Spaya Webinar:

          AI-enhanced retrosynthesis webinar: Spaya for chemists

          Presenters: Quentin Perron, Brian Atwood

          • 3rd AI-ML in Drug Discovery and Development :

          Generative models and multi-parametric optimization: drug discovery in the context of de novo drug design, AI and ML

          Presenter: Sree Vadlamudi

          • COMP Together Virtual Meeting:

          High-throughput retrosynthesis: Constraining molecular generators to realistically synthesizable molecules

          Presenter: Brian Atwood

          • Drug Discovery Chemistry 2021:

          Artificial intelligence- Drug discovery

          Presenter: Quentin Perron

          • NIH Virtual Workshop on Reaction Informatics:

          Spaya API for high-throughput retrosynthesis: constraining molecular generators to synthesisable molecules

          Presenter: Brian Atwood

          • Iktos conference – AI for de novo drug design:

          Predictors hacking during generation

          Presenters: Joseph-André Turk, Philippe Gendreau

          • Iktos conference – AI for de novo drug design:

          Spaya workshop

          Presenter: Brian Atwood

          • Iktos conference – AI for de novo drug design:

          Makya workshop

          Presenter: Rohit Arora

          • Iktos conference – AI for de novo drug design:

          Structure-guided de novo drug design using deep generative modeling, a case study

          Presenter: Brice Hoffmann

          • Iktos conference – AI for de novo drug design:

          Generative AI, a long journey…

          Presenter: Quentin Perron

          • Iktos conference – AI for de novo drug design:

          Retrosynthetic analysis using Chemspace chemistry

          Presenter: Hamza Tajmouati

          • APAC Digi-Tech Pharma Webinar Series 2021:

          Deep generative models, multi-parametric optimization and synthetic accesability

          Presenter: Sree Vadlamudi

          • ACS Meeting – Fall:

          Makya: AI-driven de novo drug design platform focused on multi- parametric optimization

          Presenter: Rohit Arora

          • ACS Meeting – Fall:

          Spaya and the spaya API: AI enhanced retrosynthesis planning

          Presenter: Brian Atwood

          • EFMC-ISMC 2021 – XXVI EFMC International Symposium on Medicinal Chemistry:

          Fragment growing with reaction prediction for hit discovery

          Presenter: Quentin Perron

          • Congrès GGMM (Groupe de Graphisme et de Modélisation Moléculaire) – SFCI (Société Française de Chemoinformatique) 2021:

          Structure-guided de novo drug design using deep generative modeling, a case study

          Presenter: Brice Hoffmann

          • Congrès GGMM (Groupe de Graphisme et de Modélisation Moléculaire) – SFCI (Société Française de Chemoinformatique) 2021:

          Understanding structure-activity relationship with interpretability methods for molecular activity and chemical property prediction

          Presenter: Joseph-André Turk

          • Discovery series UK – Oxford Global:

          Multi-parametric optimization and synthetic accesability: Generative models to novel compounds

          Presenter: Sree Vadlamudi

          • Discovery series UK – Oxford Global:

          Collaboration in drug design – Technologies and AI applied to drug design

          Presenter: Sree Vadlamudi

          • SLAS 2021: AI-Powered Drug Discovery Symposium:

          Generative AI: Application to drug discovery

          Presenter: Sree Vadlamudi

          • SLAS 2021: AI-Powered Drug Discovery Symposium:

          Collaborations In drug design – AI platform technogies applied to drug design

          Presenter: Sree Vadlamudi

          • 4th AI in Pharma Summit:

          Generative models to novel compounds: Multi-parametric optimization and synthetic accessibility

          Presenter: Sree Vadlamudi

          • Discovery Chemistry – Oxford Global:

          Generative AI for de novo drug design: A look back and a look forward, lessons learned and prospects for the future

          Presenter: Quentin Perron

          2020
          • Proventa – Biology & Medicinal Chemistry Strategy Meeting:

          AI in drug discovery- Roundtable discussion

          Presenters: Yann Gaston-Mathé, Alessandro Monge

          • Spaya Webinar:

          AI for retrosynthesis- Spaya

          Presenters: Quentin Perron, Hamza Tajmouati

          • International Conference on Innovative Solutions: Cancer, Aging & Genetic diseases:

          AI for novel drug design – perspective and case studies

          Presenter: Yann Gaston Mathé

          • Makya Webinar:

          Everything you ever wanted to know about generative modeling… but were afraid to ask

          Presenter: Quentin Perron

          2019
          • Drug Discovery Chemistry 2019:

          Deep learning for ligand-based de novo design in lead optimization: a real life case study

          Presenter: Yann Gaston-Mathé

          • Merck Seminar:

          AI approaches to NCE de novo drug design & synthesis planning

          Presenter: Quentin Perron

          • Pharma AI Summit:

          Introduction to AI applied to chemistry

          Presenters: Philippe Gendreau, Adam Skiredj

          Posters