Fast and Accurate Predictions of Physical-Chemical Properties of Bioactive Molecules

Palmer, David (Academic)

Project: Research

Status	Active
Effective start/end date	1/05/14 → …

1 Article
1 Literature review

Solvation thermodynamics of organic molecules by the molecular integral equation theory: approaching chemical accuracy
Ratkova, E. L., Palmer, D. S. & Fedorov, M. V., 2015, In: Chemical Reviews. 115, 13, p. 6312–6356 45 p.
Research output: Contribution to journal › Literature review › peer-review

Open Access
File
162 Citations (Scopus)

338 Downloads (Pure)
Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules?
Palmer, D. S. & Mitchell, J. B. O., 4 Aug 2014, In: Molecular Pharmaceutics. 11, 8, p. 2962–2972 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

96 Citations (Scopus)

119 Downloads (Pure)

ARCHIE-WeSt (UOSHPC)
Martin, R. (Manager)
University Of Strathclyde
Facility/equipment: Facility

Chemical Structures Association Trust Grant
Palmer, D. (Recipient), 2 Jun 2014
Prize: Prize (including medals and awards)

2 Participation in conference
1 Journal or guest editorship

Journal of Physics: Condensed Matter (Journal)
Palmer, D. (Guest editor)
1 Jan 2015 → 1 Jan 2016
Activity: Publication peer-review and editorial work types › Journal or guest editorship
WE-Heraeus Seminar on "Exploring Solvation Science"
Palmer, D. (Participant)
27 Oct 2014 → 30 Oct 2014
Activity: Participating in or organising an event types › Participation in conference
Modelling Molecules and Materials – M3 MGMS Meeting
Palmer, D. (Participant)
20 Aug 2014 → 22 Aug 2014
Activity: Participating in or organising an event types › Participation in conference