Publications en collaboration avec des chercheurs de Universidad de Cartagena (8)

2017

  1. Dry selection and wet evaluation for the rational discovery of new anthelmintics

    Molecular Physics, Vol. 115, Núm. 17-18, pp. 2300-2313

2015

  1. Extending graph (discrete) derivative descriptors to N-tuple atom-relations

    Match, Vol. 73, Núm. 2, pp. 397-420

  2. Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

    Molecular Diversity, Vol. 19, Núm. 2, pp. 347-356

  3. Structural and physicochemical interpretation of GT-STAF information theory-based indices

    Bulletin of the Chemical Society of Japan, Vol. 88, Núm. 1, pp. 97-109

2014

  1. Analysis of proteasome inhibition prediction using atom-based quadratic indices enhanced by machine learning classification techniques

    Letters in Drug Design and Discovery, Vol. 11, Núm. 6, pp. 705-711

  2. Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

    Bioorganic and Medicinal Chemistry, Vol. 22, Núm. 5, pp. 1568-1585

  3. Discrete derivatives for atom-pairs as a novel graph-theoretical invariant for generating new molecular descriptors: Orthogonality, interpretation and QSARs/QSPRs on benchmark databases

    Molecular Informatics, Vol. 33, Núm. 5, pp. 343-368

  4. Trends in information theory-based chemical structure codification

    Molecular Diversity, Vol. 18, Núm. 3, pp. 673-686