Optibrium’s StarDrop 5.1 software package targets compounds by creating chemical space visualizations based on visual clustering, which helps explore the diversity of a project’s chemistry and identify spots of chemistry for further investigation. Compatible with the Apple Mac, the software has plug-in modules, such as the Auto-Modeller, that builds predictive models tailored to a project’s chemistry and data.
The P450 metabolism module provides prediction of regioselectivity by Cytochrome P450 enzymes, specifically around N-oxidation pathways. The Nova module allows the generation of compounds ideas, prioritized against a project’s required property profile, starting from initial structures and filtered according to user-specified rules to avoid unwanted substructures.
