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iwatobipen.bsky.social
Medicinal Chemist, Cheminformatician, Runner and ?
306 posts 1,093 followers 772 following
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Integration Chembl REST API and Claude with MCP #cheminformatics #mcp #ai Last week I have an opportunity to visit UK for my bussines. I could see beautiful rape blossoms from my way to hotel from Heathrow air port! I participated a workshop as a organaizer and we discussed cutting edge of synergy…

submitted 3 days ago • 0 comments

www3.nhk.or.jp/news/html/20...

submitted 4 days ago • 0 comments

I arrived at Haneda AP at 0:10 A.M. from Kansai international AP. Tooo long flight 🛫

submitted 5 days ago • 0 comments

まさかの関空行くことになるなんて　悲劇

submitted 5 days ago • 0 comments

The flight route was changed from Haneda to Kansai international AP. Due to bad weather. :-(

submitted 5 days ago • 0 comments

I could learn lots of things from the workshop. Also could have fruitful discussions with many participants. Thanks so much!

submitted 6 days ago • 0 comments

It’s still big change how to evaluate the effectiveness of data analytics processes improvement in drug discovery projects. Because it’s difficult to show clear contributions to find clinical candidates. IMHO But it is REALLY important:)

submitted 7 days ago • 0 comments

And I love Datagrok datagrok.ai

submitted 7 days ago • 0 comments

It’s a cool product for data science! www.datavisyn.io

submitted 7 days ago • 0 comments

Pie of the day and Beer after my work 😊

submitted 7 days ago • 0 comments

platform.opentargets.org

submitted 8 days ago • 0 comments

Happy to see ChemRxiv now has a Bluesky button! #chemsky

submitted 9 days ago • 1 comment

I’m moving to Hinxton now. It’s far from Heathrow AP.

submitted 9 days ago • 0 comments

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github.com/rdkit/rdkit/...

submitted 10 days ago • 0 comments

Super useful! I didn't actually know this trick

submitted 11 days ago • 1 comment

Boltz-1 supports cyclic peptide! github.com/jwohlwend/bo... That's super cool!

submitted 11 days ago • 0 comments

NEW content online!

submitted 12 days ago • 0 comments

Using MolGraph on Google Colab youtu.be/YK5qoCjrRAg #compchem

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The new #RDKit blog post is a tutorial on how to specify atomic property changes when using chemical reactions. greglandrum.github.io/rdkit-blog/p...

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New Diffusion model based docking tool #MolSnapper #cheminformatics #RDKit Recently I think relationship between ML and CADD become more closer compared to several years ago. DiffDock is one of the very nice work for interation of cheminformatics and SBDD. It uses diffusion model for…

submitted 11 days ago • 0 comments

Scientific discussion is always exciting

submitted 15 days ago • 0 comments

ai-2027.com/slowdown

submitted 17 days ago • 0 comments

FYI: New online! Transcriptomics in the era of long-read sequencing

submitted 19 days ago • 1 comment

pubs.acs.org/doi/10.1021/...

submitted 19 days ago • 1 comment

The new #RDKit blog post builds on the recent one about similarity hit set overlaps by taking similarity noise levels into account. greglandrum.github.io/rdkit-blog/p...

submitted 25 days ago • 0 comments

I think this is one of the cool visualization approach of SAR. www.sciencedirect.com/science/arti...

submitted 26 days ago • 0 comments

journals.plos.org/ploscompbiol...

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www.sciencedirect.com/science/arti...

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www.nature.com/articles/s41...

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link.springer.com/article/10.1...

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Researchers from China and five other ‘countries of concern’ barred from NIH databases | Science | AAAS www.science.org/content/arti...

submitted 26 days ago • 0 comments

single-cell data integration best practice www.sc-best-practices.org/cellular_st...

submitted 27 days ago • 0 comments

Sometime 'drug likeness' of compound structure depends on researcher's preferences. And it seems lacking in objectivity for me.

submitted 27 days ago • 0 comments

Shinkansen is good space for reading papers.

submitted 30 days ago • 0 comments

This week's short #RDKit blog post introduces some new functionality for interrupting long-running calculations. greglandrum.github.io/rdkit-blog/p...

submitted 31 days ago • 0 comments

music.apple.com/jp/album/lib...

submitted 31 days ago • 0 comments

Nonadditive SAR analysis #cheminformatics #rdkit #mmpa iwatobipen.wordpress.com/portfolio/no...

submitted 32 days ago • 0 comments

Nonadditive SAR analysis #cheminformatics #rdkit #mmpa I visited San Diego last week and have opportunity to discuss with lots of researchers. It was really a great experience for me. And I could get positive feedback from my blog post. BTW, Sometime medicinal chemist try to conbine positive…

submitted 32 days ago • 0 comments

10km jog ✅

submitted 33 days ago • 0 comments

"We need to consider how to foster #trust in AI, ensuring that concerns about its risks don’t overshadow its benefits", says Alex Ilic, from the ETH AI Center. Read this piece on trustworthy AI - the last part of our focus week on trust from ETH Zurich's "Globe" magazine. ethz.ch/en/news-and-...

submitted 33 days ago • 1 comment

Role of manager is not only management but also following the cutting edge of science. I think.

submitted 37 days ago • 0 comments

一般社団法人バイオDX推進機構主催で、坊農によるセミナー「バイオDXの世界 ゲノム解析を学び、実践に生かす」（2025年3月29日）がハイブリッド開催されます。 www.biodx.org/post/2025-03... 参加無料ですので、ご興味のある方は下記フォームよりお申し込みください。 ●開催日時: 令和7年3月29日 (土)　13：00～15：30（受付・会場 12：30） ●会場: 広島大学フェニックス国際センター　ミライクリエ miraicrea.hiroshima-u.ac.jp#cb_6 ●申込: forms.gle/tNBw2xsc5QuX... #bonohulab

submitted 44 days ago • 1 comment

9km Running done. And I found spring at today’s running course.

submitted 39 days ago • 0 comments

The new #RDKit blog post is an update of an older tutorial on displaying fingerprint bits. greglandrum.github.io/rdkit-blog/p...

submitted 39 days ago • 0 comments

Back to Japan!

submitted 39 days ago • 0 comments