Table 2 Summary of the classification datasets used in this study, collected and curated from CMNPD
From: Effectiveness of molecular fingerprints for exploring the chemical space of natural products
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 |