RDKit UGM 2016

Esben Jannik Bjerrum/ October 24, 2016/ Cheminformatics, News, RDkit/ 3 comments

RDkit_logoI’m looking forward for the first to attend the RDKit user group meeting from 26-28 October 2016 in Basel, Switzerland. RDKit is an open source chemoinformatics toolkit written in c++ with python bindings and extensions. Additionally, it has a database cartridge, which makes it quite useful for handling chemical information and storage needs, I’ve used it professionally for a while now, and it will be interesting to look at examples and other use cases, as well as meet new people who shares the passion for chemistry and computers! As Wildcards contribution, I’ll bring a presentation entitled: “pI prediction of peptides and proteins using RDkit: Pseudoatoms, AA modifications and preliminary results for a machine learning pKa predictor”
The event will be held at the Novartis Campus and coffee breaks and lunches sponsored by Roche, KNIME.com and the Novartis Institutes for BioMedical Research.

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  1. Could you please share your presentation to have an idea of the pI prediction topic you presented?.
    Many thanks in advance

    1. Of course. I’ll ask Nadine if they will get collected somewhere, otherwise I’ll put up a link here.

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