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Optibrium Community

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Welcome to the Optibrium Community where you will find a whole host of handy resources, downloads and videos. Explore the options below and navigate to your section of interest.

Publications & Presentations

Predicting Regioselectivity of Cytosolic SULT Metabolism for Drugs

This paper describes a model to predict whether a particular site on a molecule will be metabolised by cytosolic sulfotransferase enzymes (SULTs). Read More

Predicting Reactivity to Drug Metabolism: Beyond CYPs

This poster describes new models to predict whether a particular site on a molecule will be metabolised by key enzymes involved in phase I and II metabolism, including aldehyde oxidases (AOs), flavin-containing monooxygenases (FMOs) and uridine 5′-diphospho-glucuronosyl-transferases (UGTs). Read More

Downloads

Ligand Efficiency

This script provides a method for calculating Ligand Efficiency; a simple quantifiable metric for assessing whether a ligand derives ... Read More

Chemical Identifier Resolver

This script enables the user to generate chemical identifiers (where possible) from the molecular structures in a data set using the ... Read More

Videos & Tutorials

StarDrop 7.4 heat maps

In StarDrop you can display heat maps for the properties contributing to an MPO score. We’ve extended this capability by adding a ... Read More

Introduction to StarDrop™

With its comprehensive suite of integrated software, StarDrop delivers best-in-class in silico technologies within a highly visual and ... Read More

Events & Webinars

Metabolism prediction, 3D virtual screening and more – meet StarDrop 7.5

Tuesday 3 October8am PDT | 11am EDT | 4pm BST | 5pm CEST Read More

How to be a great drug discovery chemist

Recording: 20 June 2023 Read More