Events The 12th International Electronic Conference on Synthetic Organic Chemistry

Event submissions

Published

This submission belongs to the session g. Computational Chemistry of the event The 12th International Electronic Conference on Synthetic Organic Chemistry

Published date

16 Nov, 2008

Citation

Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália D. S. Cordeiro, MOOP-DESIRE-based Simultaneous Optimization of the Analgesic, Antiinflammatory, and Ulcerogenic Profiles of 3-(3-Methylphenyl)-2-Substituted Amino-3H-Quinazolin-4-ones, in Proceedings of The 12th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2008, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-12-01287

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MOOP-DESIRE-based Simultaneous Optimization of the Analgesic, Antiinflammatory, and Ulcerogenic Profiles of 3-(3-Methylphenyl)-2-Substituted Amino-3H-Quinazolin-4-ones

Maykel Cruz-Monteagudo ^1,2,3

Fernanda Borges ¹

M. Natália D. S. Cordeiro ⁴

1. Department of Organic Chemistry, Faculty of Pharmacy, University of Porto, 4150-047 Porto, Portugal

2. Applied Chemistry Research Center, Faculty of Chemistry and Pharmacy, Central University of ‘‘Las Villas’’, Santa Clara 54830, Cuba

3. Chemical Bioactive Center, Central University of ‘‘Las Villas’’, Santa Clara 54830, Cuba

4. REQUIMTE, Department of Chemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal

Abstract

Keywords

chemoinformatics

drug discovery

global QSAR

multiobjective optimization

NSAIDs

overall desirability function

ulcerogenic index