At the ACS National Fall Meeting for 2023, Patrick Walters received the Herman Skolnik Award for his contributions to the fields of chemical information and cheminformatics applied to computer-aided drug discovery research. A report about talks given at this award symposium was written for the ACS CINF Chemical Information Bulletin by Wendy Warr (wendy@warr.com) where it is scheduled to appear in March 2024. This report is also freely available from her website.
Learn more:
- Herman Skolnik Award
- Chemical Information Bulletin (published by ACS Chemical Information Division or CINF)
- View all reports available from Wendy Warr
Oral presentations at this award symposium
- New ways of working. How virtual compound generators and retrosynthesis prediction are changing the way we work. Speaker: Clara Christ of Bayer, Germany (with co-authors Yannic Alber, Hans Briem, Michael Hahn, Gary Hermann, Florian Koelling, Mario Lobell, Georg Mogk, Florian Mrugalla, and Michael Schimeczek).
- Complementing the medicinal chemists’ toolbox with cloud-based deep learning models. Speaker: Barry Bunin of Collaborative Drug Discovery (CDD).
- Unlocking the potential of computational chemistry via integration of tools, data, and people. Speakers: Yakov Pechersky, Eric Manas of Treeline Biosciences.
- Hierarchical splitting: a novel method for data splitting that improves model performance in real-world drug discovery. Speaker: Ankit Gupta, Reverie Labs.
- Binding structures and strengths through generative machine learning. Speakers Hannes Stärk and Bowen Jing of Massachusetts Institute of Technology.
- Machine learning in computer-aided drug discovery is harder than you might think. Speakers: Ajay Jain and his co-author Ann Cleves are Vice Presidents of Research and Application Science, respectively, of the BioPharmics Division of Optibrium.
- Molecular modeling evolves beyond metrics of similarity. “A sea-change into something rich and strange.” Speaker: Anthony Nicholls of OpenEye, Cadence Molecular Sciences.
- A rising tide lifts all boats. Speaker: Georgia McGaughey of Vertex Pharmaceuticals.
- Explainable machine learning in drug discovery. Speaker: Jürgen Bajorath of the University of Bonn, Germany.
- Tributes to Pat Walters. Speaker: Mark Murcko of Relay Therapeutics.
- Artificial intelligence in drug discovery: revolution, evolution, or complete nonsense. Speaker: Pat Walters of Relay Therapeutics gave the award address.