Fig. 3
From: Efficient iterative virtual screening with Apache Spark and conformal prediction
Benchmarking CPVS against parallel VS. On average, only 37.39% of the ligands were docked to reach an accuracy level of \(\sim\) 94%. By decreasing the number of docked molecules, CPVS saves more than two-thirds of the time and got an average speedup of 3.7 in comparison to Parallel VS [9]