Prediction of molecular polar surface area and bioabsorption
US6522975B1 · kind B1 · utility
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Key dates
| Filing date | Apr 19, 2000 |
| Grant date | Feb 18, 2003 |
| Priority date | — |
| Expiry date | Apr 19, 2020 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY10S707/99943
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
The polar surface area of molecules is computed without reference to three dimensional molecular structures using a linear equation incorporating counts of nitrogens, oxygens, and related atom clusters. Methods and systems for predicting intestinal absorption of candidate compounds use the polar surface area and the octanol/water partition coefficient as descriptors.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.