COSMO-RS as a Predictive Tool for Lipophilicity
Author:
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qsar.200810175/fullpdf
Reference16 articles.
1. Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds
2. Toward Prediction of Alkane/Water Partition Coefficients
3. The lipophilic behaviour of organic compounds:2. The development of an aliphatic hydrocarbon/water fragmental system via interconnection with octanol-water partitioning data
4. Calculating Virtual log P in the Alkane/Water System (log PNalk) and Its Derived Parameters Δlog PNoct-alk and log DpHalk
5. Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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1. COSMO-RS evaluation as a tool for prediction of solvents in dispersive liquid-phase microextraction: Evaluation of conventional solvents and ionic liquids as extractants;Journal of Molecular Liquids;2022-05
2. Comparison of two computational methods for solvent screening in countercurrent and centrifugal partition chromatography;Journal of Chromatography A;2022-03
3. Prediction of N-Nitrosamine Partition Coefficients for Derisking Drug Substance Manufacturing Processes;Organic Process Research & Development;2021-03-25
4. LogP determination for highly lipophilic hydrogen-bonding anion receptor molecules;Analytica Chimica Acta;2020-10
5. Classification of biphasic solvent systems according to Abraham descriptors for countercurrent chromatography;Journal of Chromatography A;2020-04
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