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Table 5 The top-six predicted coumarin derivatives that existing in BRL and their bioactivities

From: QBMG: quasi-biogenic molecule generator with deep recurrent neural network

No.

Structure

ChEMBL ID

IC50(nM)

Targets

1

CHEMBL307341

0.0006–0.0346

Monoamine oxidase B

Monoamine oxidase A

2

CHEMBL177697

0.29

Influenza A virus

3

CHEMBL1078838

0.32

Influenza A virus

4

CHEMBL262328

0.68

HCT-116

5

CHEMBL465326

1.4

Liver microsomes

6

CHEMBL52229

3.1

P388