Table 1.
Statistics of various data collections in CMNPD (release 1.0)
| Data collection | Count | Description |
|---|---|---|
| Compounds | Marine natural products | |
| Chemical entities | 31 561a | Unique chemical structures |
| Compounds with 3D conformers | 25 224 | Filter according to the criteria of PubChem3D conformer models |
| Biologically active compounds | 15 774 | Compounds with biological activity data |
| Organisms | Source marine organisms | |
| Kingdoms | 7 | Taxonomic hierarchy |
| Phyla | 38 | Taxonomic hierarchy |
| Classes | 93 | Taxonomic hierarchy |
| Orders | 289 | Taxonomic hierarchy |
| Families | 682 | Taxonomic hierarchy |
| Genera | 1480 | Taxonomic hierarchy |
| Species | 3354b | Taxonomic hierarchy |
| Targets | 2652 | Targets standardized according to ChEMBL target list |
| Single proteins | 1122 | Target type |
| Cell lines | 923 | Target type |
| Organisms | 459 | Target type |
| Others | 148 | Target type |
| Bioactivities | 72 343 | Biological activity data |
| Data in brief | 15 980 | Manual collection from literature |
| Standardized experimental data | 56 363 | Incorporation from ChEMBL |
| Documents | 128 488 | Scientific literature and patents |
| Literature | 119 543 | Literature abstracts/citations |
| Patents | 8945 | Patent abstracts/citations |
aChemical entities include different forms of certain compounds (e.g. original structure, revised structure, stereochemically improved structure, controversial structure).
bThis is the minimum estimate of the species count, because many unidentified species have been classified into the same category (e.g. Sinularia sp., unidentified species of Family Spongiidae).