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. - Yovani Marrero-Ponce; Juan A. Castillo-Garit; Ervelio Olazabal; Hector S. Serrano; Alcidez Morales; Nilo Castañedo; Froylán Ibarra-Velarde; Alma Huesca-Guillen; Elisa Jorge; Arletys del Valle; Francisco Torrens; Eduardo A. Castro (J. Comput. Aided Mol. Des., 2004)

3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification. - Yovani Marrero-Ponce; Juan A. Castillo-Garit (J. Comput. Aided Mol. Des., 2005)

Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification. - Juan A. Castillo-Garit; Yovani Marrero-Ponce; Francisco Torrens; Ramón García-Domenech; Vicente Romero-Zaldivar (J. Comput. Chem., 2008)

Undersampling: case studies of flaviviral inhibitory activities. - Stephen J. Barigye; José Manuel García de la Vega; Juan A. Castillo-Garit (J. Comput. Aided Mol. Des., 2019)