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dimensionality reduction

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2 results in Keywords: dimensionality reduction

Theoretical and Computational Chemistry

From chemical similarity measures to an unconventional modeling framework: The application of c-RASAR along with dimensionality reduction techniques in a representative hepatotoxicity dataset

Arkaprava Banerjee, Kunal Roy

Version 1 posted 22 July 2024

71

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Theoretical and Computational Chemistry

Memory Kernel Minimization Based Neural Networks for Discovering Slow Collective Variables of Biomolecular Dynamics

Bojun Liu, Siqin Cao, Jordan G Boysen, Mingyi Xue, Xuhui Huang

Version 1 posted 04 September 2024

279

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