Table 1 All validated links from the three datasets as listed on the PoDP. The standardised Metcalf score and NPClassScore of all the links are stated as well as the rank of the verified link in the candidate list before and after NPClassScore filtering. The rank number may be shared with a number of other links due to their scores being the same which is indicated in parentheses. Retimycin and nocardimicin have no information as their MS/MS spectra could not be located in their respective datasets

Staurosporine

Streptomyces/Salinispora

1

2

9.0

0.78

Rosamicin

Streptomyces/Salinispora

1 (6)

8 (38)

8.7

0.76

Desferrioxamine

Streptomyces/Salinispora

1

1

9.5

0.36

Rifamycin

Streptomyces/Salinispora

152

257

4.4

0.45

Lomaiviticin

Streptomyces/Salinispora

30 (18)

381 (151)

3.0

0.96

Arenimycin

Streptomyces/Salinispora

1 (4)

1 (12)

12.4

0.96

Enterocin

Streptomyces/Salinispora

1 (8)

4 (81)

12.4

0.40

Salinamide

Streptomyces/Salinispora

1 (40)

1 (84)

12.4

0.64

Cyclomarin

Streptomyces/Salinispora

3 (49)

4 (83)

8.7

0.91

Retimycin

Streptomyces/Salinispora

-

-

-

-

Actinomycin

Streptomyces/Salinispora

1 (97)

1 (159)

12.4

0.76

Anabaenopeptin

Cyanobacteria

2 (3)

3 (6)

4.2

0.93

Micropeptin

Cyanobacteria

-

Incorrectly discarded

-

1.00

Kawaguchipeptin

Cyanobacteria

1 (37)

2 (39)

4.7

0.71

Microcyclamide

Cyanobacteria

1 (13)

1 (18)

4.7

1.00

Microcystin

Cyanobacteria

11 (4)

13 (8)

3.2

0.64

Microcystin RR

Cyanobacteria

-

Incorrectly discarded

-

0.64

Mycobactin

Nocardia

1 (90)

2 (133)

3.2

0.64

Mycobactin

Nocardia

Incorrectly discarded

-

-

0.03

Nocardimicin

Nocardia

-

-

-

-

Nocobactin

Nocardia

-

Incorrectly discarded

-

0.59

Nocobactin

Nocardia

-

Incorrectly discarded

-

0.59

Nocobactin

Nocardia

-

Incorrectly discarded

-

0.64

Formobactin

Nocardia

1 (338)

4 (648)

2.12

0.64

Nocardimicin

Nocardia

2 (255)

11 (427)

2.12

0.59

Carboxynocobactin

Nocardia

1 (338)

4 (648)

2.12

0.46