Fig. 3
From: DeepSA: a deep-learning driven predictor of compound synthesis accessibility
Heatmaps of fingerprint similarities between the ES and HS molecules in three independent test sets: TS1, TS2, and TS3. A The ES and HS compounds in TS1 have high fingerprint similarity within their own groups, but significant different patterns presenting between the groups of ES and HS. B Small portion of molecules of ES and HS show similar fingerprint patterns. C All compounds in TS3 have high fingerprint similarity, indicating that this is the most difficult test set for the classification task