AIDD (Advanced Machine Learning for Innovative Drug Discovery) is a European Project which aims at training and preparing a new generation of scientists who have skills both in machine learning and in chemistry and can advance medicinal chemistry. The AIDD Summer School
Read more...
Our paper Automatic Extraction of Reaction Templates for Synthesis Prediction is now published in Chimia! Keywords: Computer Aided Synthesis Planning, Computational Chemistry, Reaction informatics, Retrosynthesis. Abstract: Several tools for the computational planning of synthetic routes have been developed over the last 60
Read more...
The Spring Meeting of the Swiss Chemical Society, taking place Friday, April 22, in Geneva. Topic: Biosupramolecular Chemistry Non-covalent interactions are increasingly embraced as a central design principle in research areas beyond host-guest chemistry, the cradles of supramolecular chemistry. The biosupramolecular theme
Read more...
Our paper Reaction classification and yield prediction using the differential reaction fingerprint DRFP (Daniel Probst, Philippe Schwaller and Jean-Louis Reymond, 2022, 1, 91-97, doi.org/10.1039/D1DD00006C) has been chosen to be featured on the cover of the April issue of
Read more...
AMLD (Applied Machine Learning Days) AI & the Molecular World organized by EPFL is going to take place on March 30. Track spotlight - How will AI help us to design the small molecules and proteins of tomorrow? Markus Orsi from our
Read more...
The Reymond Research Group would like to welcome its new group members: Samuel Yasmin (Ph.D. Student) and Maria-Cristina Ardelean (Visiting Ph.D. Student).
Read more...
Our paper Reaction Classification and Yield Prediction using the Differential Reaction Fingerprint DRFP is now published online in RSC Digital Discovery! The work is about the development of differential reaction fingerprint DRFP and how it performs compared to other fingerprints, such as
Read more...
The Reymond group wishes you a Merry Christmas and a Happy New Year 2022! Illustration: Artistic AI rendering of a figure from our published paper: Stereorandomization as a Method to Probe Peptide Bioactivity, ACS Cent. Sci https://pubs.acs.org/doi/10.
Read more...
Our paper A mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography (David Stéphane Baeriswyl, Hippolyte Personne, Ivan Di Bonaventura, Thilo Köhler, Christian van Delden, Achim Stocker, Sacha Javor and Jean-Louis Reymond, 2021, 2, 1608-1617,
Read more...