Patent · US Expired

Molecular hologram QSAR

US6208942A · kind A · utility

4Cited by
4References
19Claims
0Family size

Assignee

Inventors

Key dates

Filing dateFeb 10, 1998
Grant dateMar 27, 2001
Priority date—
Expiry dateFeb 10, 2018

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.