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Table 1 Overview of the data files

From: Reactant pairs and reaction organization patterns produced by a new rule-based approach

Label

Name of data file/data set

File types (file extension)

Data repository identifier (DOI)

Data file1

Compound pairs with a precision value [8]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6768449

Data file 2

Compound pairs without a precision value [9]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6789899

Data file 3

Reaction splitting using the balance rule [10]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6789902

Data file 4

Reaction splitting using the count rule [11]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6789905

Data file 5

Reaction splitting using the both rules [12]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6789911

Data file 6

RPAIR/RCLASS [7, 13]

Text file (.txt)

Figshare

https://doi.org/10.6084/m9.figshare.6967439

Data file 7

reaCTS software [14]

Perl library (.pm)

Figshare

https://doi.org/10.6084/m9.figshare.6789914

Data file 8

CurateKEGG [15]

Perl library (.pm)

Figshare

https://doi.org/10.6084/m9.figshare.6789917