Thursday, November 27, 2008
Solubility Challenge - Results
The results are in, available from the JCIM homepage (direct link). Several entrants should of been invited to submit articles to JCIM (alas I wasn't one of them!). So look out for them next year some time as the current benchmark in solubility prediction.
Labels:
cheminformatics,
literature
Wednesday, November 26, 2008
Academic software
Although there is lots of excellent open source software available for computational chemistry and cheminformatics one would be narrow minded if they ignored the large array of commercial software also available.
Unfortunately, in an academic setting the cost of this software is far beyond the limited budgets available. Most companies offer discounted prices for academia, which is great, but some have gone further. Namely, ChemAxon and OpenEye offer free academic licenses.
So if you're in academia and fancy getting your hands on commerical software I'd follow these links:
Unfortunately, in an academic setting the cost of this software is far beyond the limited budgets available. Most companies offer discounted prices for academia, which is great, but some have gone further. Namely, ChemAxon and OpenEye offer free academic licenses.
So if you're in academia and fancy getting your hands on commerical software I'd follow these links:
Labels:
cheminformatics,
comp chem
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