Number of the records: 1  

Virtual Generation of Agents against Mycobacterium tuberculosis. A QSAR Study

  1. 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. E-ISSN 1573-501X
    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

     
     

Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.