BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identifcation
Posted by
David S. Wishart
on 2020-09-12
A number of computational tools for metabolism prediction have been developed over the last 20 years to predict the structures of small molecules undergoing biological transformation or environmental degradation. These tools were largely developed to facilitate absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies, although there is now a growing interest in using such tools to facilitate metabolomics and exposomics studies. However, their use and widespread adoption is still hampered by several factors, including their limited scope, breath of coverage, availability, and performance.
Related content
16 10 2025
< 1 minute
Microsoft Office Integration - How to Marvin
Learn how you can use Marvin with Microsoft Office Word and PowerPoint by adding JChem for Office...
26 02 2025
< 1 minute
Scientific Software in Light of the European Accessibility Act
Copy and paste, click and go, swipe right, drag and drop – these computer UI actions are so...
17 10 2024
< 1 minute
UI Overview - How to Marvin
Learn the logic behind Marvin's user interface from this episode of the How to Marvin video series.
17 10 2024
< 1 minute
Chemical Naming - How to Marvin
Learn how you can generate and convert chemical names from this episode of the How to Marvin video...