Dear all,
I take the freedom to alert you of a blog post of by RDKit icon Greg Landrum on
similarity searching with highly folded fingerprints. Also with nice link to an
in-memory GPU-based similarity search.
http://rdkit.blogspot.com/2020/08/doing-similarity-searches-with-highly.html
Very practical and stuff to think about.
Kind regards, Chris
—
Prof. Dr. Christoph Steinbeck
Analytical Chemistry - Cheminformatics and Chemometrics
Institute for Inorganic and Analytical Chemistry
Friedrich-Schiller-University
Lessingstr. 8, D-07743 Jena, Germany
Phone Secretariat: +49-3641-948171
Email: christoph.steinb...@uni-jena.de
http://orcid.org/0000-0001-6966-0814
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