Welcome to the

Optibrium Community

Explore our resources

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

Transferable machine learning interatomic potential for bond dissociation energy prediction of drug-like molecules

This paper describes a new machine learning method which increases the computational efficiency of predicting Cytochrome P450 sites of metabolism. Read More

Predicting routes of Phase I and II metabolism based on quantum mechanics and machine learning

This paper describes a new method to determine the most likely experimentally-observed routes of metabolism and metabolites based on our WhichP450, regioselectivity and new WhichEnzyme model. Read More

Downloads

Mcule Access from StarDrop

This script enables you to search the Mcule database for purchasable compounds, fetch pricing information, and start the quote ... Read More

ScienceCloud Access from StarDrop

This script provides the ability to connect directly to ScienceCloud, download data from libraries or saved queries of your choice and ... Read More

Videos & Tutorials

Introduction to Idea Tracker

Want to accelerate your drug discovery with collaborative design and informed decision making? Watch our introduction to Idea Tracker, ... Read More

Single-scaffold R-group analysis

In this quick example, we will look at a single-scaffold R-group analysis to identify any functionalities which are influencing ... Read More

Events & Webinars

Overcoming challenges in drug metabolism: in silico approaches

Live on Tuesday, 12 March 9am PDT | 12pm EDT | 4pm GMT | 5pm CET Read More

Challenges and approaches in 3D ligand-based drug design

Recording: 5 December 2023 Read More