Accelerating drug discovery is about doing things better and more quickly, not just doing more things: supporting the human creative elements and outsourcing the throughput and organization that machines do best. This talk will outline elements of a digital chemistry strategy for drug discovery in which a tightly coupled Design-Make-Test-Analyze cycle is enabled by efficient exploration and scoring of a vast, intelligently enumerated chemical space and integrated physics-based principles, machine learning, and powerful cheminformatics to optimize use of wet lab synthesis and assays. It will include case studies and real-world solutions from drug discovery programs where whole projects and teams collaborate via a cloud-based enterprise informatics platform in alignment with expert modelers for design, ideation, collaboration, and project management.

Digital chemistry at scale<i>:</i> Accelerating drug discovery with democratized computational tools and project learning

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Digital chemistry at scale: Accelerating drug discovery with democratized computational tools and project learning