Dan works with client informatics and IT departments to maximize the value of research data generated by chemistry and biology teams by assisting in deployments of the Dotmatics software suite, including integrations with 3rd party systems. His customer facing consulting role requires him to travel extensively and he enjoys collaborating with globally diverse teams. Dan has contributed to many parts of the Dotmatics software and originally implemented the chemistry analysis techniques found in Vortex including super-structure searching, matched-pair analysis, chemical property calculation and clustering. Dan has over 18 years of experience in applying computational chemistry approaches to drug discovery and materials chemistry projects at Dotmatics, BIOVIA, GSK, BP and Imperial College London. He has been awarded a PhD, MSc and BSc in Chemistry from the University of Leeds.
Dotmatics is an industry leading cloud-based scientific R&D data management platform. An ambition of Dotmatics is to make all the research data available via querying and reporting. In building the querying and reporting features we have also built the perfect springboard for adventures into AI.
This talk will cover the current crop of practical AI/ML prototypes available in the Dotmatics platform and some early plans to automate AI/ML techniques over all the data our customers store in our platform. We will cover the use of WebAssembly for edge computing/client side deployment of models and some interesting observations of the benefits of the new AWS x2gd instance types for accessing larger (2 billion+) sets of purchasable compounds.