Optimum Search Strategies or Novel 3D Molecular Descriptors: Is there a Stalemate?

Optimum Search Strategies or Novel 3D Molecular Descriptors: Is there a Stalemate?

The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based on algebraic bilinear, quadratic and linear forms on the k th two-tuple spatial-(dis)similarity matrix. Generalization schemes for the inter-atomic spatial distance using diverse (dis)-similarity...

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Bibliographic Details
Main Authors: Le, Thi Thu Huong, Marrero-Ponce, Yovani, García-Jacas, César R., Barigye, Stephen J., Valdés-Martiní, José R., Rivera-Borroto, Oscar Miguel, Pino-Urias, Ricardo W., Cubillán, Néstor, Alvarado, Ysaías J.
Format: Article
Language:English
Published: 2016
Subjects:
Alignment free method
Aggregation operator
Minkowski distance matrix
Principal component analysis
QuBiLS-MIDAS
3D-QSAR
Online Access:http://repository.vnu.edu.vn/handle/VNU_123/11502
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Institution: Vietnam National University, Hanoi
Language: English

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http://repository.vnu.edu.vn/handle/VNU_123/11502

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