Table 3 Results of the CPVS method for a set of target receptors
From: Efficient iterative virtual screening with Apache Spark and conformal prediction
Receptor | Iterations | Accu. | Docked mols (%) | Time (hours) | Speed up |
|---|---|---|---|---|---|
HIV-1 | 3.9 | 97.33 | 37.15 | 4.03 | 2.93 |
PTPN22 | 4.7 | 98.34 | 44.77 | 2.48 | 3.35 |
MMP13 | 3.5 | 89.00 | 33.34 | 2.10 | 3.90 |
CTDSP1 | 3.6 | 92.67 | 34.29 | 2.03 | 4.58 |