CHEMPREDICT · Development of freely available predictive models based on simple chemical descriptors
FP6 — Marie Curie Actions (Human Resources and Mobility)
- Duration
- 2009-11-01 → 2010-10-31
- EU contribution
- €36,000
- Participants
- 1
- Scheme
- IIF
Lines connect the coordinator with its partners. CORDIS does not always give exact coordinates for projects before 2014. These points are placed at city or country level.
Project objective
A system of optimal descriptors for modeling by means of quantitative structure property/activity relationships (QSPR/QSAR) biochemical endpoints will be developed. As representation of molecular structure, hydrogen filled graph (HFG), graph of atomic orbitals (GAO), simplified molecular input line entry system (SMILES), and International Chemical Identifier (InChI) will be examined. The GAO is an attempt to take into account atom structure in the QSPR/QSAR analyses.The GAO is an original innovation of the project. Endocrinal activity, carcinogenic potential, toxic endpoints will be examined as objects of the QSAR analyses with optimal descriptors based on four abovementioned representations of molecular structure. Special software for prediction of these biochemical and biomedicine endpoints will be developed. This software together with detailed instructions will be available for free download at special web site.
Original text from CORDIS.
Participants
- UZBEK ACADEMY OF SCIENCE; INSTITUTE OF GEOLOGY AND GEOPHYSICS · TASHKENTCoordinatorCity levelUzbekistan
Links
Data: CORDIS, © European Union