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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

      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