Fig. 6
From: Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors
The boxplots illustrating the distributions of NEF1% values according to several computational modeling choices. These include: the nature of the SFs: classification or regression (A); and the featurization scheme: GRID or PLEC (B), PLEC alone or in combination with Morgan fingerprints (C) For each box plot, the median value is represented by a horizontal line inside the box