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.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(00)00129-0 · Cited by 18,139
Self-citationLipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (1997) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(96)00423-1 · Cited by 11,385
Self-citationAbraham, M. H. (1993) · Chemical Society Reviews · doi:10.1039/cs9932200073 · Cited by 1,968
Self-citationA New Substituent Constant, π, Derived from Partition Coefficients
Fujita, T., Iwasa, J., & Hansch, C. (1964) · Journal of the American Chemical Society · doi:10.1021/ja01077a028 · Cited by 1,370
Comprehensive Medicinal Chemistry
(1991) · Quantitative Structure-Activity Relationships · doi:10.1002/qsar.19910100410 · Cited by 745
Solubility and partitioning I: Solubility of nonelectrolytes in water
Yalkowsky, S. H., & Valvani, S. C. (1980) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600690814 · Cited by 577
Valkó, K., Bevan, C., & Reynolds, D. (1997) · Analytical Chemistry · doi:10.1021/ac961242d · Cited by 437
Lipophilicity in Drug Action and Toxicology
(1996) · Methods and Principles in Medicinal Chemistry · doi:10.1002/9783527614998 · Cited by 409
Design of drugs involving the concepts and theories of drug metabolism and pharmacokinetics
Smith, D. A., Jones, B. C., & Walker, D. K. (1996) · Medicinal Research Reviews · doi:10.1002/(sici)1098-1128(199605)16:3<243::aid-med2>3.0.co;2-z · Cited by 237
Slater, B., McCormack, A., Avdeef, A., et al. (1994) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600830918 · Cited by 124
Abraham, M. H., Chadha, H. S., & Leo, A. J. (1994) · Journal of Chromatography A · doi:10.1016/0021-9673(94)00686-5 · Cited by 114
Self-citationSolubilization of steroid hormones by polyoxyethylene lauryl ether.
Tomida, H., Yotsuyanagi, T., & Ikeda, K. (1978) · Chemical and Pharmaceutical Bulletin · doi:10.1248/cpb.26.2832 · Cited by 69
Fluconazole: Interspecies Scaling and Allometric Relationships of Pharmacokinetic Properties
Jezequel, S. G. (1994) · Journal of Pharmacy and Pharmacology · doi:10.1111/j.2042-7158.1994.tb03777.x · Cited by 58
Henczi, M., Nagy, J., & Weaver, D. F. (1995) · Journal of Pharmacy and Pharmacology · doi:10.1111/j.2042-7158.1995.tb05807.x · Cited by 29
Yamagami, C., Araki, K., Ohnishi, K., et al. (1999) · Journal of Pharmaceutical Sciences · doi:10.1021/js990112s · Cited by 20
Cited by
Pharmaceutical profiling in drug discovery
Kerns, E. (2003) · Drug Discovery Today · doi:10.1016/s1359-6446(03)02649-7 · Cited by 288
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
Clark, A. M., Dole, K., Coulon-Spektor, A., McNutt, A., Grass, G., Freundlich, J. S., Reynolds, R. C., & Ekins, S. (2015) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5b00143 · Cited by 114
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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
