Publicaciones en las que colabora con JESUS VICENTE DE JULIAN ORTIZ (32)

2014

  1. The prediction of human intestinal absorption based on the molecular structure

    Current Drug Metabolism, Vol. 15, Núm. 4, pp. 380-388

2013

  1. Modeling anti-allergic natural compounds by molecular topology

    Combinatorial Chemistry and High Throughput Screening, Vol. 16, Núm. 8, pp. 628-635

2008

  1. Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds

    Journal of Computer-Aided Molecular Design, Vol. 22, Núm. 8, pp. 523-540

  2. Some new trends in chemical graph theory

    Chemical Reviews, Vol. 108, Núm. 3, pp. 1127-1169

2006

  1. Assigning wave functions to graphs: A way to introduce novel topological indices

    Match, Vol. 56, Núm. 3, pp. 509-518

  2. Identification of new antimalarial drugs by linear discriminant analysis and topological virtual screening

    Journal of Antimicrobial Chemotherapy, Vol. 57, Núm. 3, pp. 489-497

  3. True prediction of lowest observed adverse effect levels

    Molecular Diversity, Vol. 10, Núm. 2, pp. 159-168

2005

  1. Application of molecular topology to the prediction of potency and selection of novel insecticides active against malaria vectors

    Journal of Molecular Structure: THEOCHEM, Vol. 727, Núm. 1-3 SPEC. ISS., pp. 107-113

  2. Diseño y desarollo de nuevos fármacos contra la malaria

    Enfermedades Emergentes, Vol. 7, Núm. 1, pp. 44-51

  3. Predictability and prediction of lowest observed adverse effect levels in a structurally heterogeneous set of chemicals

    SAR and QSAR in Environmental Research, Vol. 16, Núm. 3, pp. 263-272

  4. Search of chemical scaffolds for novel antituberculosis agents

    Journal of Biomolecular Screening, Vol. 10, Núm. 3, pp. 206-214

2004

  1. New agents active against Mycobacterium avium complex selected by molecular topology: A virtual screening method

    Journal of Antimicrobial Chemotherapy, Vol. 53, Núm. 1, pp. 65-73

  2. Structural invariants for the prediction of relative toxicities of polychloro dibenzo-p-dioxins and dibenzofurans

    Molecular Diversity, Vol. 8, Núm. 4, pp. 331-342

2003

  1. True prediction by consensus for small sets of cyclooxigenase-2 inhibitors

    Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, Vol. 42, Núm. 6, pp. 1392-1404

2002

  1. Prediction of indices of refraction and glass transition temperatures of linear polymers by using graph theoretical indices

    Journal of Physical Chemistry B, Vol. 106, Núm. 6, pp. 1501-1507

  2. Use of molecular topology for the prediction of physicochemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs

    International Journal of Pharmaceutics, Vol. 246, Núm. 1-2, pp. 111-119

2001

  1. General topological patterns of known drugs

    Journal of Molecular Graphics and Modelling, Vol. 20, Núm. 1, pp. 84-94

  2. Search of a topological pattern to evaluate toxicity of heterogeneous compounds

    SAR and QSAR in environmental research, Vol. 12, Núm. 1-2, pp. 237-254

2000

  1. Prediction of chromatographic properties of organophosphorus insecticides by molecular connectivity

    Chromatographia, Vol. 51, Núm. 5-6, pp. 331-337

1999

  1. Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds

    Journal of Medicinal Chemistry, Vol. 42, Núm. 17, pp. 3308-3314