Ye Buehler

PhD Candidate Cheminformatics @reymondgroup @DCBPunibern | MSc Chemical Engineering @imperialcollege @UTokyo_News_en | #datascience #AI #drugdiscovery

[Ye Buehler @Ye_Buehler]

I am delighted that my artwork has been chosen as the front cover of the Journal of Chemical Information and Modeling! 🎉 The design illustrates how computer science reveals hidden patterns in molecular structures and drives progress in drug discovery.

[Reymond Group @reymondgroup]

🎊The Front Cover Art for our recent paper: A View on Molecular Complexity from the GDB Chemical Space @Ye_Buehler @jrjrjlr is out @JCIM_JCTC!

👉https://t.co/hN11NQkCFS

@ACSPublications @ACS4Authors @DCBPunibern
#MyACSCover #chemicalspace #drugdiscovery #molecules #chemtwitter

[Reymond Group @reymondgroup]

🎊Check out our latest preprint "Sampling a GDB-20 Database of 32 Trillion Drug-Like Molecules by Generative Artificial Intelligence" by @Ye_Buehler, Sacha Javor, and @jrjrjlr in #ChemRxiv!
👉Read it here: https://t.co/hWfrhEyilF
@DCBPunibern @unibern #chemtwitter #chemicalspace

[JCIM & JCTC Journals @JCIM_JCTC]

A View on Molecular Complexity from the GDB Chemical Space
https://t.co/VWVfMKwBms
@Ye_Buehler @jrjrjlr @reymondgroup @DCBPunibern
#JCIM Vol65 Issue16 #Perspective

[Ye Buehler @Ye_Buehler]

@reymondgroup @MaedehDarsaraee @jrjrjlr @ChemRxiv Congrats Maedeh joon!

[Reymond Group @reymondgroup]

🎊Check out our latest preprint "Polypharmacology Browser PPB3: A Web-based Deep Learning Tool for Target Prediction Using ChEMBL Data" by @MaedehDarsaraee, Sacha Javor and
@jrjrjlr in @ChemRxiv!
PPB3 website: https://t.co/LXyB2PqVu8
👉Read the full story: https://t.co/CbrPHSP56Z

[Reymond Group @reymondgroup]

🎊Our paper "A View on Molecular Complexity from the GDB Chemical Space" by @Ye_Buehler and @jrjrjlr, is now published @JCIM_JCTC!

Dive into the full article👉 https://t.co/3MTcOqSpyj

@ACSPublications @DCBPunibern @unibern #cheminformatics #molecular #chemicalspace #chemtwitter

[ChEMBL Database @ChEMBL]

Big news for #DrugDiscovery! 🎉BioChemGraph team released its first dataset, linking 17K+ PDB-ligand complexes to 39K @ChEMBL bioactivity records in @PDBeurope & 32K @CCDC IDs in UniChem, speeding drug discovery & repurposing! 🎯 Explore here: https://t.co/XtoyyujiSU #OpenData

[JCIM & JCTC Journals @JCIM_JCTC]

Expanding Bioactive Fragment Space with the Generated Database GDB-13s #drugdiscovery
https://t.co/tlWfDRX52C
@Ye_Buehler @jrjrjlr
#JCIM Vol63 Issue20 #ChemicalInformation

[Ye Buehler @Ye_Buehler]

@MaedehDarsaraee @JCIM_JCTC @ACS4Authors @DCBPunibern Thank you Maedeh joon!

[Ye Buehler @Ye_Buehler]

🥳Very excited to announce that my recent art design was selected as the front cover @JCIM_JCTC!

💡Two journal covers achieved during my Ph.D. so far🥰
🍀Cover art1: https://t.co/zV6FdgpFz5
🍀Cover art2: https://t.co/6CoC1PKujk

@ACS4Authors @DCBPunibern #MyACSCover #chemtwitter

[Reymond Group @reymondgroup]

📢The Front Cover Art for our recent paper Expanding Bioactive Fragment Space with the Generated Database GDB-13s @Ye_Buehler @jrjrjlr is out @JCIM_JCTC!

👉https://t.co/HhRoTlKcWb

@ACS4Authors @DCBPunibern #MyACSCover #chemicalspace #drugdiscovery #bioactivity #chemtwitter

[Reymond Group @reymondgroup]

📢Our paper "Expanding Bioactive Fragment Space with the Generated Database GDB-13s" by @Ye_Buehler @jrjrjlr is now published @JCIM_JCTC!

👉Read it here: https://t.co/Ux7WMH6TaL

@DCBPunibern #chemrxiv_biochem #chemicalspace #drugdiscovery #bioactivity #datascience #chemtwitter

[Reymond Group @reymondgroup]

📢Check our latest paper "Alchemical analysis of FDA approved drugs" @digital_rsc @MarkusOrsi @skepteis @pschwllr @jrjrjlr!

👉Read it here: https://t.co/8SCNXEmvft

@DCBPunibern @reymondgroup #chemicalspace #FDA #chemistry #chemtwitter

[Daniel Probst @[email protected] @skepteis]

In case you need a nice (light or dark) colour theme for everything (gtk, vscode, terminal, slack, obsidian, dwarf fortress ...), you should give this a try.

https://t.co/c3Z0Ly5ZiR

[Daniel Probst @[email protected] @skepteis]

As the Gzip text classification is a beautifully elegant method, I adapted it to classify molecules. While it doesn't beat *large* transformers, it certainly holds its own overall.
Oh, and it also does a fairly good job on regression tasks.

Working paper:
https://t.co/TNCnbwFRhe

[Reymond Group @reymondgroup]

📢Check out our preprint "Expanding Bioactive Fragment Space with the Generated Database GDB-13s" @Ye_Buehler @jrjrjlr @ChemRxiv @chemRxivBiochem
👉https://t.co/XUPTc12Tyr
@DCBPunibern #chemrxiv_biochem #chemicalspace #drugdiscovery #bioactivity #datascience #chemtwitter

[ChemRxiv Bio and Med Chem @chemRxivBiochem]

Expanding Bioactive Fragment Space with the Generated Database GDB-13s
https://t.co/77OhN7du9n
#chemrxiv_biochem

[Philippe Schwaller (he/him) @pschwllr]

New PostDoc position! Join the vibrant LIAC team (@SchwallerGroup) for a project on “ML for Direct Air Capture Materials”. Develop models to accelerate the discovery of new CO2 adsorbents together with excellent experimental collaborators (@lfim_epfl)!
RT appreciated. #ML4Sus

[Reymond Group @reymondgroup]

📢Check out our preprint to see how fine-tuned GPT-3 models predict the antimicrobial activity and hemolysis of peptide sequences. @MarkusOrsi @jrjrjlr @ChemRxiv
👉https://t.co/98dxmlWHVl
@DCBPunibern #chemtwitter #GPT

[Reymond Group @reymondgroup]

📢Check out our latest paper @HelvChimActa by @bonvin15
https://t.co/KW9lHV1MxU
We redesigned polyamidoamine dendrimers by moving the carbonyl across the amide nitrogen to form HPLC pure inverse PAMAMs, stable and showing potent antibacterial effects @DCBPunibern #chemtwitter

[Reymond Group @reymondgroup]

@reymondgroup Networking Symposium took place successfully on Friday, March 24th! We are happy to see everyone, including some of our former group members in this great group reunion!🎊
#chemtwitter @DCBPunibern