Integration of ligand and structure-based virtual screening for identification of leading anabolic steroids

Alvarez-Ginarte, Yoanna María; Montero‐Cabrera, Luis A.; Vega, José Manuel García-de la; Bencomo-Martínez, Alberto; Pupo, Amaury; Agramonte-Delgado, Alina; Marrero-Ponce, Yovani; Ruiz-García, José Alberto; Mikosch, Hans

doi:10.1016/j.jsbmb.2013.07.004

Cited by 4 publications

(1 citation statement)

References 39 publications

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“…as the orientation matrix, moreover, they present a fast implementation of null LDA method in (Sharma et al, 2012). In recent years, this method has gained wide attentions in the area of dimensionality reduction and data mining (Alvarez-Ginarte et al, 2013;Lu et al, 2013;Lyons et al, 2014;Sharma et al, 2014).…”

Section: Introductionmentioning

confidence: 99%

A theoretical contribution to the fast implementation of null linear discriminant analysis method using random matrix multiplication with scatter matrices

Feng¹,

Wu²

2014

Preprint

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The null linear discriminant analysis method is a competitive approach for dimensionality reduction. The implementation of this method, however, is computationally expensive. Recently, a fast implementation of null linear discriminant analysis method using random matrix multiplication with scatter matrices was proposed. However, if the random matrix is chosen arbitrarily, the orientation matrix may be rank deficient, and some useful discriminant information will be lost. In this paper, we investigate how to choose the random matrix properly, such that the two criteria of the null LDA method are satisfied theoretically. We give a necessary and sufficient condition to guarantee full column rank of the orientation matrix. Moreover, the geometric characterization of the condition is also described.

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Section: Introductionmentioning

confidence: 99%

A theoretical contribution to the fast implementation of null linear discriminant analysis method using random matrix multiplication with scatter matrices

Feng¹,

Wu²

2014

Preprint

View full text Add to dashboard Cite

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A theoretical contribution to the fast implementation of null linear discriminant analysis with random matrix multiplication

Feng

2015

Numerical Linear Algebra App

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The null linear discriminant analysis method is a competitive approach for dimensionality reduction. The implementation of this method, however, is computationally expensive. Recently, a fast implementation of null linear discriminant analysis method was proposed in the paper of Sharma et al. In this method, a random matrix multiplication with scatter matrix is used to produce the orientation matrix. In this paper, we consider whether the random matrix can be replaced by an arbitrary full rank matrix of appropriate size, and focus on the necessary and sufficient condition to guarantee full column rank of the orientation matrix. We investigate how to choose the matrix properly, such that the two criteria of the null linear discriminant analysis method are satisfied. Furthermore, we give a necessary and sufficient condition to guarantee full column rank of the orientation matrix, and describe the geometric characterization of this condition. Numerical experiments justify our theoretical analysis.

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A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcoma

et al. 2020

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Integration of ligand and structure-based virtual screening for identification of leading anabolic steroids

Cited by 4 publications

References 39 publications

A theoretical contribution to the fast implementation of null linear discriminant analysis method using random matrix multiplication with scatter matrices

A theoretical contribution to the fast implementation of null linear discriminant analysis method using random matrix multiplication with scatter matrices

A theoretical contribution to the fast implementation of null linear discriminant analysis with random matrix multiplication

A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcoma

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