Antony Williams

Computational Chemist


Antony Williams is a computational chemist at the National Center of Computational Toxicology working on delivery of the center’s data to the scientific community (via the CompTox Chemicals Dashboard at  He is an analytical scientist by training and has over two decades of experience in cheminformatics and chemical information management. He worked at Kodak as their worldwide NMR technology leader, as the Chief Science Officer for Advanced Chemistry Development and as the VP of Strategic Development for the Royal Society of Chemistry. He has worked extensively on complex data management issues with a focus on internet-based projects to deliver free-access community-based chemistry websites and services, specifically the ChemSpider database which has over 70 million chemicals and ~90,000 users per day ( He has authored over 230 papers, book chapters and books regarding computer-assisted analysis of data, cheminformatics and chemical information management. He presently holds adjunct roles at UNC Chapel Hill and NC State University. He was the recipient of the Jim Gray Award for eScience in 2012 and the American Chemical Society’s North Carolina Distinguished Speaker of the Year award in 2016.