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

Project: Research

Project Details

StatusActive
Effective start/end date1/05/14 → …

Research Output

  • 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 journalLiterature review

Open Access
File
  • 99 Citations (Scopus)
    197 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 journalArticle

    Open Access
    File
  • 46 Citations (Scopus)
    89 Downloads (Pure)

    Equipment

  • Prizes

    Chemical Structures Association Trust Grant

    David Palmer (Recipient), 2 Jun 2014

    Prize: Prize (including medals and awards)

  • Activities

    • 2 Participation in conference
    • 1 Journal or guest editorship

    Journal of Physics: Condensed Matter (Journal)

    David Palmer (Guest editor)
    1 Jan 20151 Jan 2016

    Activity: Publication peer-review and editorial work typesJournal or guest editorship

    WE-Heraeus Seminar on "Exploring Solvation Science"

    David Palmer (Participant)
    27 Oct 201430 Oct 2014

    Activity: Participating in or organising an event typesParticipation in conference

    Modelling Molecules and Materials – M3 MGMS Meeting

    David Palmer (Participant)
    20 Aug 201422 Aug 2014

    Activity: Participating in or organising an event typesParticipation in conference