The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat
Abstract
The relationship of rotatable bond count (N(rot)) and polar surface area (PSA) with oral bioavailability in rats was examined for 434 Pharmacia compounds and compared with an earlier report from Veber et al. (J. Med. Chem. 2002, 45, 2615). N(rot) and PSA were calculated with QikProp or Cerius2. The resulting correlations depended on the calculation method and the therapeutic class within the data superset. These results underscore that such generalizations must be used with caution.
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Citations
Cites
Molecular properties that influence the oral bioavailability of drug candidates
Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm020017n · Cited by 8,420
Cited by
The influence of drug-like concepts on decision-making in medicinal chemistry
Leeson, P. D., & Springthorpe, B. (2007) · Nature Reviews Drug Discovery · doi:10.1038/nrd2445 · Cited by 2,403
Meanwell, N. A. (2011) · Chemical Research in Toxicology · doi:10.1021/tx200211v · Cited by 620
Macrocycles In New Drug Discovery
Mallinson, J., & Collins, I. (2012) · Future Medicinal Chemistry · doi:10.4155/fmc.12.93 · Cited by 468
Orally Absorbed Cyclic Peptides
Nielsen, D. S., Shepherd, N. E., Xu, W., Lucke, A. J., Stoermer, M. J., & Fairlie, D. P. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00838 · Cited by 445
Going further than Lipinski's rule in drug design
Walters, W. P. (2012) · Expert Opinion on Drug Discovery · doi:10.1517/17460441.2012.648612 · Cited by 306
Metadata
- Authors
- Lu, J. J., Crimin, K., Goodwin, J. T., Crivori, P., Orrenius, C., Xing, L., Tandler, P. J., Vidmar, T. J., Amore, B. M., Wilson, A. G. E., Stouten, P. F. W., & Burton, P. S.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-10-23
- Volume
- 47
- Issue
- 24
- Pages
- 6104-6107
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W2052107505
- Cited by
- 169
- References
- 1
- FWCI
- 6.46
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Lu, J. J., Crimin, K., Goodwin, J. T., Crivori, P., Orrenius, C., Xing, L., Tandler, P. J., Vidmar, T. J., Amore, B. M., Wilson, A. G. E., Stouten, P. F. W., & Burton, P. S. (2004). Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat. Journal of Medicinal Chemistry. https://doi.org/10.1021/jm0306529
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.
