Fig. 3.

Favorable and unfavorable molecular features for interactions with MRP4. Each feature is a fragment-like fingerprint, up to six bond lengths in diameter, which occurs within the larger parent molecule. The squiggle and asterisks indicate that the bond extends further but does not specify the atom type. The favorable features or good features are labeled G1–G5, and the unfavorable features or bad features are labeled B1–B5. A feature is considered good if it frequently occurs within compounds that were classified as inhibitors and bad if it frequently occurs in compounds that are noninhibitors. The large integer after the colon is the unique hash identifier for the shown fingerprint. The Bayesian score is the normalized probability assigned to that feature.