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Computing intrinsic aqueous solubility of crystalline organic molecules
David Palmer
Physics
SUPA
Research output
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Contribution to conference
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Poster
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Dive into the research topics of 'Computing intrinsic aqueous solubility of crystalline organic molecules'. Together they form a unique fingerprint.
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Chemistry
Organic Molecule
100%
Solubility
100%
Crystalline Material
100%
Gibbs Free Energy
55%
Molecule
55%
Thermodynamics
22%
QSPR Study
11%
Solvent
11%
Solid
11%
Bioavailability
11%
Molecular Integral
11%
Environmental Pollutant
11%
Number
11%
Partial Molar Volume
11%
Pharmaceutical Industry
11%
Biomimetics
11%
Crystal Structure
11%
Coupling Constant
11%
Water Type
11%
Agrochemical
11%
Aqueous Solution
11%
Gas
11%
R
11%
First Principle
11%
Simulation
11%
Group
11%
Point Group T
11%
Liquid
11%
Biochemistry, Genetics and Molecular Biology
Solubility
100%
Molecule
100%
Energy
55%
Hydration
33%
Thermodynamics
22%
Computer Model
11%
Crystal
11%
Screening
11%
Volume
11%
Solvent
11%
Solid
11%
Development
11%
Aqueous Solution
11%
Introspection
11%
Accuracy
11%
Gas
11%
Biomimetics
11%
Data Base
11%
Liquid
11%
Quantitative Structure Property Relation
11%
Crystal Structure
11%
Electric Potential
11%
Taxonomy
11%
Pharmacology, Toxicology and Pharmaceutical Science
2,5-Dimethoxy-4-iodoamphetamine
44%
Hydration
33%
Solvent
11%
Drug
11%
Pollutant
11%
Water
11%
Agricultural Chemical
11%
Bioavailability
11%
Pharmaceutics
11%