- Learn how GenAI is transforming early drug discovery by designing novel, drug-like small molecules with improved potency, selectivity, and ADME properties.
- Explore how GenAI integrates with synthesis planning and automation tools to prioritize viable candidates and accelerate iterative drug development.
Jason Shields
Christopher D. Taylor
Christopher D. Taylor is Director of Applied Sciences at Promethium (QC Ware Corp.), bringing over 25 years of expertise in density functional theory (DFT). He works with drug discovery teams to bridge AI and quantum chemistry, guiding the deployment of DFT-based rational drug design and descriptor-driven frameworks for drug discovery. Throughout his career, Christopher has used DFT to solve problems once considered unsolvable, and he now highlights how high-quality quantum mechanical data, when used to train AI models, delivers significant gains in accuracy and insight. By translating complex scientific challenges into scalable workflows, he helps accelerate both small molecule and macromolecule design with quantum-level precision.
Philip Tagari
Yue-Wang Webster
QC Ware
Website: https://www.qcware.com/
Promethium is a GPU-native, first-principles quantum mechanics (QM) simulation platform developed by QC Ware to accelerate small-molecule drug discovery. Built for both speed and accuracy, Promethium runs up to 100× faster than traditional DFT tools while maintaining quantum-level precision.
Its unique ability to rank-order ligands within 5-25 minutes per compound, delivering FEP-like accuracy, gives medicinal and computational chemists a powerful way to prioritize hits, refine leads, and explore chemical space with unprecedented efficiency. Promethium empowers pharma R&D teams to make faster, more confident decisions in lead optimization and beyond.
