Here are some of the things we are doing at the moment
Novel features include modelling for drug metabolism prediction and virtual library enumeration
Enhanced data visualisation environment for more efficient data analysis and project management
Optibrium™, a developer of software for drug discovery, today announced the launch of version 6.5 of StarDrop™ that provides a complete platform for small molecule design, optimisation and data analysis. The latest release introduces WhichP450, a new feature in StarDrop’s P450 metabolism module that predicts which human Cytochrome P450 enzymes are the major metabolising isoforms for a novel compound. Understanding how a compound is metabolised enables identification and analysis of its potential metabolites, and guides the design of molecules with a reduced risk of drug-drug interactions or variations in exposure across the patient population. Read the press release here...WhichP450 – A Multi-class Categorical Model to Predict the Major Metabolising CYP450 Isoform for a Compound, J. Comput-Aided Mol. Des. 2018. More publications... " Capturing and applying knowledge to guide compound optimisation" at the ACS Spring 2018 National Meeting and Exposition, April 2018. More presentations...