In this blog I will catalog various examples of how to get started with molecular modeling and how to use it in chemical education.
The title of the blog reflects that of a book I am working on and that will be published by CRC press in 2010.
Posts
The wrong type of SMILES
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When I wrote the blog post on ANNalog, there was an instant flurry of
interest. ANNalog is a generative model that suggests medchem analogs given
an inpu...
1 week ago
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