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Library

Presentations

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