New Blog Post: Prioritizing Drug-Like 💊 ChEMBL Compounds Within Target 🎯 Profiles In this post, I go through how to use the #python #chembl #api and #sqlite to: • Retrieve compound and target activity data programmatically • Build a local database of molecules and their associated targets • […]

@DrFerrous hello! Thanks for sharpening my knives at Repair Cafe at Pohick Library. Thanks for mentioning adjunct teaching at GMU.

Lmaooo, my LinkedIn year in review has put me in the box of being a catalyst 😁😂 Well, I guess I am tasked with reducing Delta G for organizational chemistry success ☺️🤣🤣🤣

🚀 New blog post: “Hackathon Tips” 💻🧠 I participated in the LLM Hackathon for Applications in Materials Science & Chemistry 🧪 in September. My post has some tips for hackathoners: • Begin with the end in mind®: plan deliverables first (video, submission, post…) so your team knows what you're […]

The Democratic Party would do well to look to the social programs of the Black Panther Party as inspiration if SNAP disappears on Saturday. Just running party-sponsored food drives and regular party-sponsored spaghetti dinners in some major cities would be both helpful and good PR.

Since I haven't seen any posts about it yet (maybe I just missed them?) today's Nobel prize in chemistry went to Susumu Kitagawa Kyoto University, Japan Richard Robson University of Melbourne, Australia Omar M. Yaghi University of California, Berkeley, USA “for the development of […]

Star Trek II: The Math of Khan #boreamovieorshow #hashtaggames

Field of Dreamless #boreamovieorshow #hashtaggames

Saving Private Ryan’s GI Benefits #boreamovieorshow #hashtaggames

#WashingtonDC has a grim but important Holocaust Museum - really well done spaces that wind down from the fourth floor - starting from Hitler's rise to power. It's one thing to know about it generally (and watch a few movies and documentaries) but seeing the […] [Original post on mastodon.online]

“In Finland, the number of homeless people has fallen sharply. Those affected receive a small apartment & counselling with no preconditions. 4 out of 5 people affected make their way back into a stable life. And all this is CHEAPER than accepting homelessness.” It costs a lot less to house people.

If you hear about a job where it helps to have over 200 publications in academic and popular #archaeology, plus 20 years' experience as a journal editor, plus a solid record as a popular teacher, then please give me a nudge! #jobs #academia #getfedihired #fedihire

Day 2 of the #InChI Technical Meeting @rwth.bsky.social in Aachen focused on inorganic stereochemistry & Polymer-InChI development. Thanks to @volkswagenstiftung.de @nfdi4chem.de and @beilsteininstitut.hessen.social.ap.brid.gy for funding! Next-gen cheminformatics is taking shape! #OpenScience

heading tomorrow to the InChI Technical Exchange Meeting Summer 2025 in Aachen/DE Looking forward to it, and particularly talking about the InChI for inorganics and trying that in @wikidata :) See https://doi.org/10.26434/chemrxiv-2025-53n0w And also the nano InChI, see […]

It’s really amazing to live near to SF Public Library. Almost any book I can think of in all the languages I read in, they have it. Public libraries are treasures #publiclibraries

There were layoffs at MS yesterday and 3 #python core devs from the Faster CPython team were caught in them. If you know of any jobs, please send them their way (they kind of know Python, CPython, and its internals well 😉): Eric Snow: https://www.linkedin.com/in/ericsnowcurrently/ Irit Katriel: […]

At the request of a journal editor, I reviewed a paper by leading researchers on one of my favorite #chemistry topics - tautomers! This article was featured in the Journal of Cheminformatics. I am grateful for the #PeerReview certificate of recognition […] [Original post on fosstodon.org]

The 2025_03_1 release of #rdkit release includes my contribution to speed up part of getting 2D fingerprints for a molecule by ~75x! So if you generate #chemical fingerprints, now is a good time to upgrade. Reminder that I'm #OpenToWork so if you're hiring for #Cheminformatics or […]

Sen. Van Hollen and his meeting with Abrego Garcia in El Salvador is all over the news and social media. Joe Rogan is talking about the value of due process, wrongly denied to Abrego Garcia. Thankfully the “just poll, then do what’s already popular, never try to lead or shape opinion” crowd lost.

Jukkenbashi and the shadow of a dude.

Random #cooking #kitchentip Wooden chopsticks on either side of something you are cutting helps not cut all the way through

I'm excited to present "Finding Tautomers" at the first North American #RDKit User Group Meeting in the #Boston #MA area on Friday April 11! Reminder that I'm #OpenToWork so if you're in the area and hiring for #cheminformatics or #scientificSoftware […] [Original post on fosstodon.org]

Happy National cherry blossom festival to all who celebrate 🌸🌸🌸

Go American Bar Association! “We will not stay silent in the face of efforts to remake the legal profession into something that rewards those who agree with the government and punishes those who do not.” […]

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Until Schumer is removed as the Dems' Senate leader, there is zero (or less) chance of saving the nation from total dictatorship. If that isn't obvious today, nothing is.

Glad to see the #StandUpForScience March in DC and other locations March 7th] has a [#Pittsburgh event too. Likely going to be in Schenley Plaza near #Pitt and #CMU https://standupforscience2025.org/local-event-information/ cc: @ghutchis.bsky.social#standupforscience#pittsburgh#pitt#cmuchlord

Great that a publication is paying contributors! https://hachyderm.io/@towardsdatascience/114100925947027503

Since they are definitely going to try to kill Social Security, it is worth mentioning that it is one of the most successful poverty reduction programs of all time.

We interrupt your regularly scheduled morning plum blossom appreciation session to announce the arrival of the Kawazu sakura in Tokyo 🎉

Senator, welcome to Bluesky. Can you explain why you're sponsoring a bill to repeal Section 230, which would effectively make it impossible for Bluesky to do what it's doing today, creating this kind of space? Thanks. www.techdirt.com/2025/02/21/w...

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Not everyone can fight Trumpism and Trumpists directly. But remember this: kindness, decency, and fidelity to American values are defiance in the face of Trumpism. So be kind, decent, and faithful, particularly to the many kinds of people despised and attacked by Trumpists. That’s revolutionary./1

Lest you think that umami is mainly an "Asian" food thing, understand that this is a taste response to foods everywhere - the synergy between glutamate and inosinate (and/or guanylate) too Here's an illustration ( from the excellent website with a ton of […] [Original post on mastodon.online]

Get a library card—even if you don’t plan to use it. Your registration helps secure funding for libraries, keeping them open and thriving for the entire community. Every card counts! #savelibraries

Does anyone know if there is a way to calculate the likelihood of substitution in various systems? I have a system with two different aromatic rings and want to selectively substitute at one position. I have a pretty good idea of what I'll get, but I'd like some numbers to back up this idea if […]

As the YouTubers would say, “A lot of you have been asking me about how to write #Cheminformatics blog posts.” Well, not a lot, but at least a couple! Here's my process. https://bertiewooster.github.io/2024/11/21/Cheminformatics-Blogging-How-To.html #python #rdkit #chemistry

#introduction My education is in #chemistry which I’ve combined with my #software development experience as #Cheminformatics. I've been coding and blogging about that at https://bertiewooster.github.io/ I just set up a bridge to Bluesky from Mastodon where I’m at https://fosstodon.org/@jemonat