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

• 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.
• 格式: Article
• 語言: English
• 出版: 2016
• 主題: Alignment free method; Aggregation operator; Minkowski distance matrix; Principal component analysis; QuBiLS-MIDAS; 3D-QSAR
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/11502
• 機構: Vietnam National University, Hanoi

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...