Publikationen in Zusammenarbeit mit Forschern von Universidad Nacional Autónoma de México (6)

2017

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

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

2009

  1. Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

    QSAR and Combinatorial Science, Vol. 28, Núm. 1, pp. 9-26

2008

  1. New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors

    Journal of Biomolecular Screening, Vol. 13, Núm. 8, pp. 785-794

2006

  1. Predicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 19, pp. 6502-6524

2005

  1. Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: Theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 4, pp. 1005-1020

2004

  1. TOMOCOMD-CARDD, a novel approach for computer-aided 'rational' drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds

    Journal of Computer-Aided Molecular Design, Vol. 18, Núm. 10, pp. 615-634