CapMolPred

The E.coli Antimicrobial Activity Screening Dataset with Enhanced Chemical Diversity:

NAME	INFO	Total Samples	Positive Samples	Negative Samples	ACTION
E.coli dataset	Evaluates antimicrobial activity against E. coli BW25113 through growth inhibition assays, featuring 2,335 unique compounds with 5.14% showing significant antimicrobial activity based on a fixed inhibition threshold.	2,335	120	2,215

The A.baumannii Antimicrobial Resistance Inhibition Dataset with Statistical Thresholding:

NAME	INFO	Total Samples	Postive Samples	Negative Samples	ACTION
A.baumannii dataset	Quantifies antimicrobial activity against drug-resistant A. baumannii using growth inhibition profiling, with 6.24% of 7,684 compounds demonstrating effective antimicrobial activity based on statistical significance cutoff.	7,684	502	7,182

The S.aureus Antimicrobial Resistance Inhibition Dataset with MIC Thresholding:

NAME	INFO	Total Samples	Postive Samples	Negative Samples	ACTION
S.aureus dataset	This dataset was systematically aggregated from the ChEMBL database (Target ID: CHEMBL352). After meticulous data curation and the removal of duplicate records based on canonical SMILES representations, the final dataset comprises 2,984 unique molecular compounds.	2,984	1,161	1,823