The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
ElogPoct: A Tool for Lipophilicity Determination in Drug Discovery
Abstract
We present an RP-HPLC method, for the determination of logPoct values for neutral drugs, which combines ease of operation with high accuracy and which has been shown to work for a set of 36 molecules comprised largely of drugs. The general features of the method are as follows: (i) compound sparing (< or = 1 mL of a 30-50 microg/mL solution needed), (ii) rapid determinations (20 min on average), (iii) low sensitivity to impurities, (iv) wide lipophilicity range (6 logPoct units), (v) good accuracy, (vi) excellent reproducibility. A linear free energy relationship (LFER) analysis, based on solvation parameters, shows that the method encodes the same information obtained from a shake-flask logPoct determination. To the best of our knowledge a similar performance, on a set of noncongeneric drugs, has not been previously reported. We refer to the value generated via this method as ElogPoct.
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Comprehensive Medicinal Chemistry
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PAMPA—critical factors for better predictions of absorption
Avdeef, A., Bendels, S., Di, L. I., Faller, B., Kansy, M., Sugano, K., & Yamauchi, Y. (2007) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.21068 · Cited by 240
Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets
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Metadata
- Authors
- Lombardo, F., Shalaeva, M. Y., Tupper, K. A., Gao, F., & Abraham, M. H.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2000-07-01
- Volume
- 43
- Issue
- 15
- Pages
- 2922-2928
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W2017843836
- Cited by
- 261
- References
- 15
- FWCI
- 10.35
- Type
- journal article
- Language
- en
- Open access
- closed
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- Lombardo, F., Shalaeva, M. Y., Tupper, K. A., Gao, F., & Abraham, M. H. (2000). ElogPoct: A Tool for Lipophilicity Determination in Drug Discovery. Journal of Medicinal Chemistry. https://doi.org/10.1021/jm0000822
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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