Skip to main content

Advertisement

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
  1. Results were averaged over 10 runs for each receptor