Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge
Journal Article
Overview
publication date
- November 1, 2016
has subject area
- Alkalies - Water
- Anions - Water
- Biochemical Phenomena - Molecular Structure
- Biological Science Disciplines - Drug Discovery
- Chemical Phenomena - Molecular Structure
- Chemistry - Drug Discovery
- Computer Simulation
- Cyclohexanes
- Decision Making - Uncertainty
- Environment and Public Health - Uncertainty
- Health Care Evaluation Mechanisms - Uncertainty
- Investigative Techniques - Drug Discovery
- Investigative Techniques - Uncertainty
- Mathematical Concepts - Uncertainty
- Models, Chemical
- Oxygen Compounds - Water
- Pharmaceutical Preparations
- Small Molecule Libraries
- Solubility
- Solvents
- Thermodynamics
Date in CU Experts
- October 4, 2016 12:17 PM
Full Author List
- Bannan CC; Burley KH; Chiu M; Shirts MR; Gilson MK; Mobley DL
author count
- 6
citation count
- 77
published in
Other Profiles
International Standard Serial Number (ISSN)
- 0920-654X
Electronic International Standard Serial Number (EISSN)
- 1573-4951
Digital Object Identifier (DOI)
Additional Document Info
start page
- 927
end page
- 944
volume
- 30
issue
- 11