Stephen J. Capuzzi

Drug Discovery. Informatics. Rare Diseases.

[Stephen J. Capuzzi @scapuzzi_unc]

@intconfchemstr @dr_greg_landrum This is such great recognition. I count myself among the many who are able to contribute to discovery using code that @dr_greg_landrum and #RDKIT have developed,

[Stephen J. Capuzzi @scapuzzi_unc]

@olexandr @mariewelt @CMUPittCompBio @CMU_Chem Congrats @mariewelt!!!!! You have done some really amazing work and congrats to you Dr Isayev for being such a great mentor.

[Stephen J. Capuzzi @scapuzzi_unc]

@rguha whenever people have personalized license plates I like to intentionally mispronounce them. Lamb Ros? You must really like lamb!

[Stephen J. Capuzzi @scapuzzi_unc]

We use #chordoma as a case study for how knowledge-graphs can work in the #RareDiseases space. @ChordomaFDN @sommerjo

[Stephen J. Capuzzi @scapuzzi_unc]

@pycharm rules. that is all.

[Stephen J. Capuzzi @scapuzzi_unc]

@vinimalvs Very nice! Go Heels.

[Stephen J. Capuzzi @scapuzzi_unc]

@bharate_sandip @AcsMedi @rguha @vinimalvs @JCIM_ACS Thank you so much for the kind words!

[Stephen J. Capuzzi @scapuzzi_unc]

I was honored to be named an @AcsMedi Young Investigator at the #ACSFall2021. Thanks to @rguha for the nomination and @vinimalvs for collaborating for aggregation prediction, which was the topic of my talk. https://t.co/QMem29Lt5g @JCIM_ACS

[Patrick Walters @wpwalters]

I put together a topical index that sort of organizes the posts I've written at Practical Cheminformatics over the last 3 years. https://t.co/7kCBGFIBrY

[Stephen J. Capuzzi @scapuzzi_unc]

@fewill26 @AcsMedi @rguha @vinimalvs @JCIM_ACS Thanks, Will. Your talk, and all of the others, were very interesting. It was great to see such a range of topics and approaches discussed. Cheers, SC

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

After very loooong time under review! Our (w/ @scapuzzi_unc @mariewelt; Team “AI Winter is Coming”) winning entry for kinome binding prediction challenge 💪🏻😎☺️ #compchem #drugdiscovery

[Stephen J. Capuzzi @scapuzzi_unc]

@rguha it is nice to see Dreyfus cited in the paper. A worthwhile read

[Stephen J. Capuzzi @scapuzzi_unc]

@rguha i think i can see my house from there

[Stephen J. Capuzzi @scapuzzi_unc]

Ever wanted to use #python to execute a @knime workflow that has globally defined variables from the command line (aka not through the GUI)?. Here's how: https://t.co/2izJTccYtH

#knime #opensource

[Stephen J. Capuzzi @scapuzzi_unc]

@olexandr yea and it looks very cns penetrant....

[Stephen J. Capuzzi @scapuzzi_unc]

@stelfrich @knime @wpwalters that's very cool. no more switching in the preferences, nice!

[Stephen J. Capuzzi @scapuzzi_unc]

I created a workflow to do positional analog scanning in @knime. Code was adapted from @wpwalters. Check it out at https://t.co/mhYwGBhAQ1

[Stephen J. Capuzzi @scapuzzi_unc]

@stelfrich @knime @wpwalters laziness. i will soon! thanks!!

[Stephen J. Capuzzi @scapuzzi_unc]

#cheminformatics #opensource

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

Check out our latest preprint @ChemRxiv. "A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery" a collaboration with @UNCPharmacy @EnamineLtd @Chem_space @thesgconline #compchem https://t.co/xKmPh0g6RN