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QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations

BACKGROUND: In previous reports, Marrero-Ponce et al. proposed algebraic formalisms for characterizing topological (2D) and chiral (2.5D) molecular features through atom- and bond-based ToMoCoMD-CARDD (acronym for Topological Molecular Computational Design-Computer Aided Rational Drug Design) molecu...

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Detalles Bibliográficos
Autores principales:	Valdés-Martiní, José R., Marrero-Ponce, Yovani, García-Jacas, César R., Martinez-Mayorga, Karina, Barigye, Stephen J., Vaz d‘Almeida, Yasser Silveira, Pham-The, Hai, Pérez-Giménez, Facundo, Morell, Carlos A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2017
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5462671/ https://www.ncbi.nlm.nih.gov/pubmed/29086120 http://dx.doi.org/10.1186/s13321-017-0211-5

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