The statistical of better, poorer and equal targets based on 13 targets (with more than 100 compounds) in the external validation set
| . | Optimal number of targets in NPs + DerALL models . | ||
|---|---|---|---|
| Better_number . | Equal_number . | Poorer_number . | |
| FNN | 8 | 2 | 3 |
| GC | 6 | 1 | 6 |
| LSTM | 8 | 1 | 4 |
| SVM | 6 | 2 | 5 |
| RF | 5 | 2 | 6 |
| XGBOOST | 6 | 1 | 6 |
| KNN | 5 | 1 | 7 |
| NB | 7 | 1 | 5 |
| . | Optimal number of targets in NPs + DerALL models . | ||
|---|---|---|---|
| Better_number . | Equal_number . | Poorer_number . | |
| FNN | 8 | 2 | 3 |
| GC | 6 | 1 | 6 |
| LSTM | 8 | 1 | 4 |
| SVM | 6 | 2 | 5 |
| RF | 5 | 2 | 6 |
| XGBOOST | 6 | 1 | 6 |
| KNN | 5 | 1 | 7 |
| NB | 7 | 1 | 5 |
The statistical of better, poorer and equal targets based on 13 targets (with more than 100 compounds) in the external validation set
| . | Optimal number of targets in NPs + DerALL models . | ||
|---|---|---|---|
| Better_number . | Equal_number . | Poorer_number . | |
| FNN | 8 | 2 | 3 |
| GC | 6 | 1 | 6 |
| LSTM | 8 | 1 | 4 |
| SVM | 6 | 2 | 5 |
| RF | 5 | 2 | 6 |
| XGBOOST | 6 | 1 | 6 |
| KNN | 5 | 1 | 7 |
| NB | 7 | 1 | 5 |
| . | Optimal number of targets in NPs + DerALL models . | ||
|---|---|---|---|
| Better_number . | Equal_number . | Poorer_number . | |
| FNN | 8 | 2 | 3 |
| GC | 6 | 1 | 6 |
| LSTM | 8 | 1 | 4 |
| SVM | 6 | 2 | 5 |
| RF | 5 | 2 | 6 |
| XGBOOST | 6 | 1 | 6 |
| KNN | 5 | 1 | 7 |
| NB | 7 | 1 | 5 |
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