Maximizing gain in high-throughput screening using conformal prediction

Overview of attention for article published in Journal of Cheminformatics, February 2018

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Some Notes From the 2018 RDKit UGM

Practical Cheminformatics, 25 Sep 2018

Last week I had the pleasure of attending the RDKit User Group meeting in Cambridge, UK. This was my first RDKit UGM, and it…

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