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Topological approach to quantifying molecular lipophilicity of heterogeneous set of organic compounds
- Source :
- Bioorganicmedicinal chemistry. 11(18)
- Publication Year :
- 2003
-
Abstract
- The lipophilicity of the large set of organic compounds is investigated using distance-based topological indices. The results have shown that molecular lipophilicity can be modeled in multi-parametric model in that W, 1 χ, B, J and logRB along with indicator parameters are involved. The results are discussed critically.
- Subjects :
- Models, Molecular
Molecular model
Chemistry
Organic Chemistry
Clinical Biochemistry
Pharmaceutical Science
Quantitative Structure-Activity Relationship
Reproducibility of Results
Models, Theoretical
Topology
Biochemistry
Lipids
Set (abstract data type)
Drug Discovery
Lipophilicity
Solvents
Molecular Medicine
Regression Analysis
Organic Chemicals
Molecular Biology
Hydrophobic and Hydrophilic Interactions
Topology (chemistry)
Algorithms
Subjects
Details
- ISSN :
- 09680896
- Volume :
- 11
- Issue :
- 18
- Database :
- OpenAIRE
- Journal :
- Bioorganicmedicinal chemistry
- Accession number :
- edsair.doi.dedup.....5a0427212a1220fe2f227085f4390843