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3D-Chiral quadratic indices of the 'molecular pseudographa's atom adjacency matrix' and their application to central chirality codification: Classification of ACE inhibitors and pbkp_rediction of σ-receptor antagonist activities
ArticleAbstract: Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' have been generalized to coPalabras claves:3D-Chiral quadratic indices, Angiotesin-converting enzyme inhibitors, tomocomd-cardd Approach, σ-Receptor antagonistsAutores:Castro E.A., González‐díaz H., Torrens F., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:scopusNovel 2D TOMOCOMD-CARDD molecular descriptors: Atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
ArticleAbstract: Novel atom-based molecular descriptors (MDs) based on a bilinear map similar to use defined in lineaPalabras claves:Genetic Algorithm, non-stochastic and stochastic atom-based bilinear indices, octane isomers, Physicochemical properties, QSPR model, ToMoCoMD-CARDD softwareAutores:García-Domenech R., Ortega-Broche S.E., Torrens F., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:googlescopus