Number of the records: 1
Virtual Generation of Agents against Mycobacterium tuberculosis. A QSAR Study
- 1.0166933 - UCHP-M 20030251 RIV NL eng J - Journal Article
Besalú, E. - Ponec, Robert - de Julián-Ortiz, J. V.
Virtual Generation of Agents against Mycobacterium tuberculosis. A QSAR Study.
Molecular Diversity. Roč. 6, - (2003), s. 107-120. ISSN 1381-1991
Institutional research plan: CEZ:AV0Z4072921
Keywords : cross-validation * linear models * virtual molecular libraries
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.444, year: 2001
A QASAR approach based on the use of various topological indices as new theoretical molecular descriptors was applied to the study of a set of 64 anti-tuberculosis agents involvinf the substituted benzoxazines and phenylquinazolines. The resulting model was subsequently applied to a wider virtual molecular library, which, together with the original set of 64 molecules with known activities another 512 molecules for which the predictions were made.
Permanent Link: http://hdl.handle.net/11104/0064041