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: Software Reviews
A Growing Collection of Reviews of Scientific Software
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
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
A Growing Collection of Reviews of Scientific Software. There are also compilations of data analysis tools, spectroscopy apps and reference management tools