Virtual Generation of Agents against Mycobacterium tuberculosis. A QSAR Study

0166933 - UCHP-M 20030251 RIV NL eng J - Článek v odborném periodiku
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. E-ISSN 1573-501X
Výzkumný záměr: CEZ:AV0Z4072921
Klíčová slova: cross-validation * linear models * virtual molecular libraries
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 4.444, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0064041