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Looking for a C++ cheminformatics toolkit?
If you are writing a C++ application that uses a cheminformatics toolkit, a key step during the configuration process is to tell the build system the location of the toolkit libraries and include...
View ArticleExplicit and Implicit Hydrogens: Taking liberties with valence
The field of cheminformatics has two concepts of implicit vs. explicit when it comes to talking about hydrogen atoms. The first concept is at the internal data structure level where explicit hydrogens...
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