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Xavier Gironés: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca
    Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2000, v:14, n:5, pp:477-485 [Journal]
  2. Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
    Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy ketals, a quantum similarity study. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2001, v:15, n:12, pp:1053-1063 [Journal]
  3. Ana Gallegos Saliner, David Robert, Xavier Gironés, Ramon Carbó-Dorca
    Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2001, v:15, n:1, pp:67-80 [Journal]
  4. David Robert, Xavier Gironés, Ramon Carbó-Dorca
    Facet diagrams for quantum similarity data. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1999, v:13, n:6, pp:597-610 [Journal]
  5. Xavier Gironés, Ramon Carbó-Dorca
    TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:2, pp:153-159 [Journal]
  6. Xavier Gironés, David Robert, Ramon Carbó-Dorca
    TGSA: A molecular superposition program based on topo-geometrical considerations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:2, pp:255-263 [Journal]
  7. Patrick Bultinck, Tom Kuppens, Xavier Gironés, Ramon Carbó-Dorca
    Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:4, pp:1143-1150 [Journal]
  8. Anna Gallegos, Xavier Gironés
    Topological Quantum Similarity Indices Based on Fitted Densities: Theoretical Background and QSPR Application. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:2, pp:321-326 [Journal]
  9. Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
    Modeling Large Macromolecular Structures Using Promolecular Densities. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:4, pp:847-852 [Journal]
  10. Xavier Gironés, Ramon Carbó-Dorca
    Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:2, pp:317-325 [Journal]
  11. Xavier Gironés, Ramon Carbó-Dorca
    Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:5, pp:1185-1193 [Journal]
  12. Xavier Gironés, Ramon Carbó-Dorca
    Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002) [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:4, pp:1335-1336 [Journal]
  13. Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
    Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2003, v:43, n:6, pp:2033-2038 [Journal]
  14. Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
    Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:6, pp:1400-1407 [Journal]
  15. Xavier Gironés, Robert Ponec
    Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2006, v:46, n:3, pp:1388-1393 [Journal]
  16. Robert Ponec, Xavier Gironés, Ramon Carbó-Dorca
    Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:3, pp:564-570 [Journal]
  17. David Robert, Xavier Gironés, Ramon Carbó-Dorca
    Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:839-846 [Journal]

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