Noel O'Boyle
- Reposted by Noel O'BoyleObviously a lot is going on (gestures widely) Amid chaos, I cope by doing *something* -- anything. Lately, it's been coding for @avogadro.cc because it feels like some small change I can do myself For *years* I've wanted to show electron density volumes .. little clouds ☁️☁️ #compchem
- I'm publicising the ChEMBL UGM. There are various community members or organisations that maintain newsletters in the field of cheminformatics, but I'm not aware of them all. Andreas Bender has one, CICAG and CINF have more formal ones; are there others? #cheminformatics #CINF
- Blogpost that looks at how LLMs have improved at 'reasoning' over time. This is a key capability that enables many scientific workflows. baoilleach.blogspot.com/2026/01/impr...
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- Join the team!
- Reposted by Noel O'BoyleI’m hiring 1-year postdoc position in computational chemistry at the University of Copenhagen The research is focusing on automated reaction prediction in collaboration with two major Pharma companies (see e.g. doi.org/10.1002/anie...) Please share #compchem
- A blog post on "Classifying PubMed Abstracts with LLMs". baoilleach.blogspot.com/2026/01/clas...
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- My team has roles available for scientific developers either as Technical Lead (more senior) or as part of the development of a Side Effect Resource. baoilleach.blogspot.com/2025/12/open... #chemsky #chemjobs #bionformatics #cheminformatics #datascience #techlead
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- I've gone from a review a year to being asked 6 times in as many weeks. The honeymoon period of returning to academia is well and truly over... :-)
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- Where's the best place to advertise a (computational) postdoc position? (asking for a friend...) #chemjobs #chempostdocs
- Reposted by Noel O'BoyleCheck out this opportunity to join my lab as a postdoc! www.ebi.ac.uk/research/pos... Every year, faculty from EMBL-EBI and the Wellcome Sanger Institute co-develop projects that allow fellows to be part of ✨both✨ of these amazing research institutes.
- Blog post on "A new job, a postdoc opportunity, an open biological curator role, and a user group meeting" baoilleach.blogspot.com/2025/07/a-ne...
- Blog post on "A new job, a postdoc opportunity, an open biological curator role, and a user group meeting" baoilleach.blogspot.com/2025/07/a-ne...
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- Very excited about this!
- Blog post: "A 16-year time loop" baoilleach.blogspot.com/2025/07/a-16...
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- Reposted by Noel O'Boyle🚀 Healx is launching a new blog series on practical, open-source workflows for drug discovery! First up: a KNIME + ChEMBL pipeline to explore compound-target interactions. Big thanks to #RDKit, ChEMBL, UniChem & KNIME! 🧪 Read more: medium.com/low-code-for...
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- Great to be working with Daniel again.
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- Reposted by Noel O'Boyle@thesgc.bsky.social is generating large/open screening data and inviting data scientists to train their ML models via DREAM challenges: 1- train your model on DEL data 2- retrospectively predict 138 ASMS true positives 3- predict new hits. We will test them and publish together. bit.ly/3YXVKoT
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- Reposted by Noel O'BoyleWe have two #postdoc positions open to join my team at @ebi.embl.org in beautiful Cambridge! We are a mission-driven, highly collaborative and dynamic team located at the Wellcome Genome Campus, one of the most exciting hubs in the world focused on biomedical research 👇
- Over on LinkedIn, I am polling people on whether they are interested in attending a ChEMBL UGM in person or remote. Leave a message here or follow the link if interested. (Stupid LI, you need to view desktop version of this site if on phone): www.linkedin.com/posts/noel-o...
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- PubMedCentral down. nih.gov in general seems to be down. Also cancer.gov (National Cancer Institute).
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- Follow up post: "MMPA: The case of the missing group Part II" baoilleach.blogspot.com/2025/02/mmpa... #cheminformatics
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- SmiZip v2.0 released baoilleach.blogspot.com/2025/02/smiz...
- Post on MMPA: The case of the missing group baoilleach.blogspot.com/2025/01/mmpa... #cheminformatics
- ReplaceR - a webapp that suggests R group and linker replacements baoilleach.blogspot.com/2025/01/repl...
- ReplaceR - a webapp that suggests R group and linker replacements baoilleach.blogspot.com/2025/01/repl...
- Here's a paper on ZSMILES, a compression method for SMILES that is definitely not a rearrangement of the letters of smizip. :-) I guess they missed it, but they do reference SMAZ, which is basically the same, but don't talk about the differences: arxiv.org/pdf/2404.19391
- A new release of partialsmiles - the validating partial SMILES parser baoilleach.blogspot.com/2025/01/rele...
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- Blog post on a tool to bookmark directories baoilleach.blogspot.com/2024/12/push...
- Blog post on a tool to bookmark directories baoilleach.blogspot.com/2024/12/push...
- Blogpost on the effect of ties on evaluation of virtual screens baoilleach.blogspot.com/2024/12/the-... #cheminformatics
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- Reposted by Noel O'BoyleOpen #postdoc position in *Organic/Medicinal Chemistry* for generative #AI in Drug Discovery — join us @tueindhoven.bsky.social 💪🏻 Funded by the European Research Council (ERC). Deadline: Jan 15, 25 jobs.tue.nl/nl/vacature/... Repost appreciated!
- It's Noel's all the way down.
- Blogpost comparing engagement on X vs Mastodon vs BlueSky baoilleach.blogspot.com/2024/12/enga...
- Reposted by Noel O'BoyleWe are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky
- Reposted by Noel O'BoyleSave the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September. The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague. Registration details will follow early next year.
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