New finger print calculation method in RDKit #RDKit

It’s a good news for RDKitters! New version of rdkit is released and it can be installed with Anaconda! There are many implementations and enhancements. You can find details of that from URL below. https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md One of interesting feature is a fingerprint bit information rendering function. There is nice blog post about that. http://rdkit.blogspot.com/2018/10/using-new-fingerprint-bit-rendering-code.html AndContinue reading “New finger print calculation method in RDKit #RDKit”

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