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CAPi

Datasets

Apicoplast Dataset:

48hrs_dataset:Datasets were created from PubChem confirmatory BioAssay AID-504850 (48hrs) screens of plasmodium apicoplast inhibitors at 48hrs.This dataset involved confirmatory screening of 2305 compounds and identified 1173 inhibitors and 344 non-inhibitors for apicoplast of malarial parasite. We considered only those active compoound whose AC value was < 1uM. Therefore, the final dataset was composed of total 462 compounds of which 118 compounds acted as apicoplast inhibitor and rest were non-inhibitors.

The dataset used in this study is provided in the sdf format with class active or decoys- Download Active dataset (SDF format) and Download Inactive dataset (SDF format)

96hrs_dataset: The confirmatory screening in this assay resulted in 1391 active and 240 inactive compounds against apicoplast of plasmodium. After removing the compounds whose AC value was < 1uM, we got a final dataset of 450 compounds, out of which 210 were identified as inhibitors and 240 were non-inhibitors.

The dataset used in this study is provided in the sdf format with class active or decoys- Download Active dataset (SDF format) and Download Inactive dataset (SDF format)