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Table 1 Comparison of PAINs identification by different software/methodologies using a library of 50,000 compounds from the ChemBridge catalogue

From: A practical Java tool for small-molecule compound appraisal

Software cApp v1.2 Sybyl Matching entries
Rules pains.smt [20] sln [17]  
No of PAINs 5,790 6,001 5,788
Hits identified only in one approach 2 213  
Software cApp v1.2 Pipeline Pilot Matching entries
Rules pains.smt [20] pains.smt [20]  
No of PAINs 5,790 5,994 5,782
Hits identified only in one approach 8 212