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

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

Abstract 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...

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Bibliográfalaš dieđut
Váldodahkkit: José R. Valdés-Martiní, Yovani Marrero-Ponce, César R. García-Jacas, Karina Martinez-Mayorga, Stephen J. Barigye, Yasser Silveira Vaz d‘Almeida, Hai Pham-The, Facundo Pérez-Giménez, Carlos A. Morell
Materiálatiipa: Artihkal
Giella:English
Almmustuhtton: BMC 2017-06-01
Ráidu:Journal of Cheminformatics
Fáttát:
ToMoCoMD-CARDD
QuBiLS-MAS
Linear
Bilinear and quadratic indices
Atom/bond-based molecular descriptor
Non-stochastic
Liŋkkat:http://link.springer.com/article/10.1186/s13321-017-0211-5

Interneahtta

http://link.springer.com/article/10.1186/s13321-017-0211-5

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