Very surreal to see my name on a paper! Looking forward to working further on this approach! Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics pubs.acs.org/doi/10.1021/ac…

#DSMSPoster2021 #16 Jonathan Conn Computing the Free Energy Change of DNA Hybridisation Using the Jarzynski Equality

#DSMSPoster2021 #20 Hamish Swanson Novel Self-Assembled Antimicrobial Materials

#DSMSPoster2021 #27 Daniel Fowles Physics-based Solubility Computation for Pharmaceuticals Can Rival Informatics

It’s the first SCoTCH research day in person! Great morning of talks from members of the group.

Representing the SCoTCH Research group while attending the UK-QSAR Group spring meeting today was a great experience! Had a lot of fun discussing my poster on physics-based intrinsic solubility computation. #chemtwitter

Looking forward to a lot of interesting talks at #AIChem22, and the chance to present our research into combining deep learning and RISM!

Last day of the #emlg2022 conference! Lots of cool talks and interesting posters. Here’s mine

Very happy to see this published! #compchem Accurately Predicting Solvation Free Energy in Aqueous and Organic Solvents beyond 298K by Combining Deep Learning and the 1D Reference Interaction Site Model Check it out here: pubs.rsc.org/en/content/art…

1D-RISM predictions of solvation free energies are inaccurate, but can be corrected using empirical data. Palmer et al. have developed a deep learning solver which makes this faster and more flexible. Find out more in today's featured article: doi.org/10.1039/D2DD00… #openaccess

Just accepted! Accurately predicting solvation entropy, enthalpy and free energy simultaneously with a multi-task CNN! #compchem #deeplearning Check it out here: pubs.rsc.org/en/content/art…