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.

🎊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: chemrxiv.org/doi/full/10.26… @DCBPunibern @unibern #chemtwitter #chemicalspace

A View on Molecular Complexity from the GDB Chemical Space pubs.acs.org/doi/10.1021/ac… @Ye_Buehler @jrjrjlr @reymondgroup @DCBPunibern #JCIM Vol65 Issue16 #Perspective

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

🎊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: ppb3.gdb.tools 👉Read the full story: chemrxiv.org/engage/chemrxi…

🎊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👉 pubs.acs.org/doi/full/10.10… @ACSPublications @DCBPunibern @unibern #cheminformatics #molecular #chemicalspace #chemtwitter

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: ebi.ac.uk/about/news/upd… #OpenData

Expanding Bioactive Fragment Space with the Generated Database GDB-13s #drugdiscovery pubs.acs.org/doi/10.1021/ac… @Ye_Buehler @jrjrjlr #JCIM Vol63 Issue20 #ChemicalInformation

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

@Ye_Buehler @JCIM_JCTC @ACS4Authors @DCBPunibern the best cover art ever! congrats Ye joon!

🥳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: pubs.acs.org/toc/jcisd8/63/2 🍀Cover art2: pubs.acs.org/toc/jcisd8/63/… @ACS4Authors @DCBPunibern #MyACSCover #chemtwitter

📢Our paper "Expanding Bioactive Fragment Space with the Generated Database GDB-13s" by @Ye_Buehler @jrjrjlr is now published @JCIM_JCTC! 👉Read it here: pubs.acs.org/doi/10.1021/ac… @DCBPunibern #chemrxiv_biochem #chemicalspace #drugdiscovery #bioactivity #datascience #chemtwitter

📢Check our latest paper "Alchemical analysis of FDA approved drugs" @digital_rsc @MarkusOrsi @skepteis @pschwllr @jrjrjlr! 👉Read it here: pubs.rsc.org/en/content/art… @DCBPunibern @reymondgroup #chemicalspace #FDA #chemistry #chemtwitter

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. github.com/catppuccin/cat…

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: chemrxiv.org/engage/chemrxi…

📢Check out our preprint "Expanding Bioactive Fragment Space with the Generated Database GDB-13s" @Ye_Buehler @jrjrjlr @ChemRxiv @chemRxivBiochem 👉chemrxiv.org/engage/chemrxi… @DCBPunibern #chemrxiv_biochem #chemicalspace #drugdiscovery #bioactivity #datascience #chemtwitter

Expanding Bioactive Fragment Space with the Generated Database GDB-13s ift.tt/85LmBfE #chemrxiv_biochem

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

📢Check out our preprint to see how fine-tuned GPT-3 models predict the antimicrobial activity and hemolysis of peptide sequences. @MarkusOrsi @jrjrjlr @ChemRxiv 👉chemrxiv.org/engage/chemrxi… @DCBPunibern #chemtwitter #GPT

📢Check out our latest paper @HelvChimActa by @bonvin15 doi.org/10.1002/hlca.2… 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

@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