How to test SMILES strings in Supplementary Information
chem-bla-ics,
Source. License: CC-BY 2.0.When you stumble upon a nice paper describing a new predictive or explanatory model for a property…
Source. License: CC-BY 2.0.When you stumble upon a nice paper describing a new predictive or explanatory model for a property…
One of the questions I had in the hackathon today is about how to use the CDK to convert SMILES string into InChIs and…
Originally a series I started in the CDK News, later for some issues part of this blog, and then for some time on Google+, CDK…
About half a year ago I was fed up with the slow progress in Open Data in chemistry. Some initiatives exist and some projects…