Molecular hologram QSAR
US5751605A · kind A · utility
16Cited by
1References
1Claims
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Key dates
| Filing date | Aug 15, 1996 |
| Grant date | May 12, 1998 |
| Priority date | — |
| Expiry date | Aug 15, 2016 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/30
- WIPO fieldBiotechnology
- WIPO sectorChemistry
Abstract
A new computer implemented method for discovering structure-activity relationships has been discovered which utilizes weighted 2D fingerprints in conjunction with the PLS statistical methodology. This method produces a robust QSAR technique that can be automated. In addition, the MOLECULAR HOLOGRAM QSAR technique generates high quality QSAR models that are in many cases as good as or better than models arising from use of more complex and time consuming techniques such as CoMFA or Apex-3D.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.