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Subject: Chemistry , Working Paper , Title: Filter feature selection for unsupervised clustering of designer drugs using DFT simulated IR spectra data , Authors: Kedan He Version 1 posted 07 September 2021 Show abstract Download 448 Downloads
Subject: Chemistry , Working Paper , Title: Unsupervised machine learning-based image recognition of raw IR spectra: Toward chemist-like chemical structural classification and beyond numerical data , Authors: Kentarou Fuku, Takefumi Yoshida Version 5 posted 17 January 2025 Show abstract Download 1,004 Downloads