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ZENODO
Dataset . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients

Research datakeyboard_double_arrow_right Dataset 20 Mar 2024Publisher:Zenodo
Authors: McDonald, Matthew; Koscher, Brent; Canty, Richard; Jensen, Klavs;

doi: 10.5281/zenodo.10845990 , 10.5281/zenodo.10845991

Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients

Abstract

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.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average