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Summary of the classification datasets used in this study, collected and curated from CMNPD
| Dataset | Number of compounds | Active compounds |
|---|---|---|
| Antibiotic | 1000 | 112 |
| Antiviral | 1000 | 106 |
| Antitumoral | 1000 | 154 |
| Antimalarial | 1000 | 92 |
| Antileishmanial | 1000 | 20 |
| Kinase C inhibition | 1000 | 22 |
| Serine Protease inhibition | 1000 | 29 |
| ATPase inhibition | 1000 | 78 |
| HIV | 1000 | 178 |
| Antifungal | 1000 | 364 |
| Anti-inflammatory | 1000 | 156 |
| Phosphatase inhibition | 1000 | 95 |
