🎊The Front Cover Art for our recent paper: A View on Molecular Complexity from the GDB Chemical Space
@yebuehler.bsky.social and Jean-Louis Reymond is now out @JCIM!
👉 tinyurl.com/yc4ufsfw
@acs.org @pubs.acs.org @unibe.ch @DCBPunibern
#MyACSCover #chemicalspace #drugdiscovery #molecules

🎊Check out our latest preprint "Polypharmacology Browser PPB3: A Web-based Deep Learning Tool for Target Prediction Using ChEMBL Data" by @maedehdarsaraee.bsky.social, Sacha Javor and Jean-Louis Reymond in @chemrxiv.org!
PPB3 website: ppb3.gdb.tools
👉Read the full story: chemrxiv.org/engage/chemr...

🎊Our paper "A View on Molecular Complexity from the GDB Chemical Space" by @yebuehler.bsky.social‬ and Jean-Louis Reymond, is now published @JCIM_JCTC!
Dive into the full article 👉https://tinyurl.com/dda4ck92
‪@pubs.acs.org‬ @unibe.ch‬ @DCBPunibern
#cheminformatics #molecular #chemicalspace

🎉 Our latest paper "Exploring Simple Drug Scaffolds from the Generated Database Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology" is now published in Journal of Medicinal Chemistry!
Read the full version here👉https://pubs.acs.org/doi/10.1021/acs.jmedchem.4c02549

🎉Our latest paper "Antimicrobial Peptide-Peptoid Macrocycles from the Polymyxin B2 Chemical Space" by Etienne Bonvin, @markusorsi.bsky.social, Thierry Paschoud, Ashvin Gopalasingam, Jérémie Reusser, Thilo Köhler, Christian van Delden, and Jean-Louis Reymond is now published in Angewandte Chemie!

🎉Our latest paper "Chemical space as a unifying theme for chemistry" by Jean-Louis Reymond is now published on Journal of Cheminformatics!

Read it here👉
jcheminf.biomedcentral.com/articles/10....

#cheminformatics #chemical_space

🎉Our latest publication "Predicting Polypharmacology with Web-Based Tools" by @maedehdarsaraee.bsky.social, Sacha Javor, and Jean-Louis Reymond is now published on Wiley!
Read it here👉
onlinelibrary.wiley.com/doi/abs/10.1...

#DCBP
#polypharmacology
#target_prediction
#chembl
#fingerprint
#ML