Datasets
Replication Dataset:Dtasets were created from PubChem confirmatory BioAssay AID-492952 (replicating) screens of drug tolerant M.tb H37Rv in carbon starvation model Rep_dataset:This dataset involved screening of 2294 compounds from the BioAssay-488890 and identified 1453 inhibitors and 841 non-inhibitors for M.tb residing in replicating phase. After removing the salt/ions containing compounds, the final dataset was composed of total 2135 compounds of which 1355 compounds acted as replication mode inhibitor and rest were non-inhibitors.
The dataset used in this study is provided in the smile format with class active or decoys- Download dataset (SMILE format)
Non-Replication dataset
NRep_dataset: The confirmatory screening in this assay resulted in 1277 active and 1017 inactive compounds against non-replicating M.tb. After removing the compounds containing salt/ions, we got a final dataset of 2135 compounds, out of which 1206 were identified as inhibitors and 929 were non-inhibitors.
The dataset used in this study is provided in the smile format with class active or decoys- Download dataset (SMILE format)