Universidad de Cartagena-ko ikertzaileekin lankidetzan egindako argitalpenak (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