Dan Fowles

AI Data Analyst - Afon Technology

[Dan Fowles @FowlesDan]

Just accepted! Accurately predicting solvation entropy, enthalpy and free energy simultaneously with a multi-task CNN!
#compchem #deeplearning

Check it out here:
https://t.co/hXw6AK4rK5

[Digital Discovery @digital_rsc]

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: https://t.co/562TmJbVBa #openaccess

[Dan Fowles @FowlesDan]

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:
https://t.co/EIJKGw7ZR6

[Abdullah Ahmad @2AUK_C]

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

[Dan Fowles @FowlesDan]

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

[Dan Fowles @FowlesDan]

Representing the @scotch_research group while attending the @ukqsar spring meeting today was a great experience! Had a lot of fun discussing my poster on physics-based intrinsic solubility computation. #chemtwitter

[SCoTCH Research @scotch_research]

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

[Strathclyde Doctoral Researchers Group (StrathDRG) @DRGStrath]

#DSMSPoster2021

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

[Strathclyde Doctoral Researchers Group (StrathDRG) @DRGStrath]

#DSMSPoster2021

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

[Strathclyde Doctoral Researchers Group (StrathDRG) @DRGStrath]

#DSMSPoster2021

#20
Hamish Swanson
Novel Self-Assembled Antimicrobial Materials

[Dan Fowles @FowlesDan]

@JGBrandenburg Using the previous DMACRYS/Gaussian method, intramolecular vibrations were assumed to be the same in gas and crystal. With the newer method involving CASTEP phonon mode calculations, these intramolecular contributions are included!

[Dan Fowles @FowlesDan]

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

https://t.co/3ua5RuoFcf