Skip to main content

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