DataWarrior is a data analysis tool that understands chemistry, it provides an efficient way to search, sort and analyse structure-activity data. DataWarrior was developed at Actelion
Category: Reviews
alvaDesc is a desktop tool for the calculation of a wide range of molecular descriptors and a number of molecular fingerprints from https://www.alvascience.com. alvaDesc can be
A recent publication described BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification DOI. There are a number of tools that predict
Whilst the Mac has an increasing share of the Biology or Physics desktop, expansion in Chemistry has been limited due to the availability of key
Cheminformatics and CompChem on Apple Silicon We all know that this new architecture is blazingly fast for video editors but what about us chemists? List of
When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence
When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence
One of the most common tasks for those involved in cheminformatics is handling files containing molecular information, these files can be in a variety of
I was at the Dotmatics UGM recently and they gave an insight into some of the future directions. One of the areas under consideration is