Table 1 The precision and recall rates of classification and glycosides prediction results (n = 3982)
From: DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data
Model | Classification | Glycosides | ||||
|---|---|---|---|---|---|---|
Precision | Recall | F1-score | Precision | Recall | F1-score | |
DeepSAT (Normal HSQC) | 0.8788 | 0.8733 | 0.8726 | 0.9372 | 0.9376 | 0.9364 |
DeepSAT (Multiplicity Edited HSQC) | 0.9120 | 0.9047 | 0.9046 | 0.9315 | 0.9284 | 0.9251 |