Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients
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https://zenodo.org/record/10845990
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资源简介：
This repository contains all the data and code associated with the manuscript "Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients"
Mass spec and absorption chromatogram data are in reaction_set_1.zip, reaction_set_2.zip, and simulated_reaction_set.zip. The chemprop model trained on the Deep4Chem dataset is in Deep4Chem_chemprop.zip.
创建时间：
2024-03-20
