Chris Grulke began his work in cheminformatics facilitating chemical and assay data deposition and visualization as a member of the research informatics group at Pfizer Global R&D in 2003.
Desiring a better understanding of the scientific potential of cheminformatics techniques, he joined Alexander Tropsha’s Laboratory for Molecular Modeling at the University of North Carolina-Chapel Hill earning a PhD in 2011.
He did postgraduate work at the National Exposure Research Laboratory at the US-EPA from 2011 to 2014 focusing mainly on the gathering, storage, and modeling of exposure data. In 2014, he joined the National Center of Computational Toxicology at the US-EPA with a focus on expanding the DSSTox database that currently underlies http://comptox.epa.gov and developing an internal LIMS system for tracking ToxCast screening efforts. His latest research interests center on developing a database of pharmacokinetic models and data, developing a QSAR modeling platform that automates knowledge acquisition from biochemical assay databases, and investigating the effects of training error and uncertainty on QSAR model validation and applicability.