Table 1 Size of individual data sets prior and after processing
From: NaPLeS: a natural products likeness scorer—web application and database
| Database | Number of parsed molecules | Number of unique molecules | Origin of molecules | Link/references |
|---|---|---|---|---|
| UEFS | 503 | 478 | Generalist | http://zinc.docking.org/catalogs/uefsnp |
| HIT | 530 | 477 | Plants | http://zinc.docking.org/catalogs/hitnp [11] |
| SANCDB | 623 | 592 | Plants | https://sancdb.rubi.ru.ac.za [9] |
| AfroDB | 944 | 874 | Plants | http://zinc.docking.org/catalogs/afronp [8] |
| Sellec Chem NP | 1590 | 1411 | Generalist | https://www.selleckchem.com/screening/natural-product-library.html [15] |
| NPACT | 1572 | 1452 | Plants | http://crdd.osdd.net/raghava/npact [12] |
| ChEMBL NP | 1899 | 1328 | Generalist | https://www.ebi.ac.uk/chembl [4] |
| NuBBE | 2215 | 2022 | Plants, Insects | https://nubbe.iq.unesp.br/portal/nubbe-search.html [10] |
| StreptomeDB | 2443 | 2320 | Bacteria | http://zinc.docking.org/catalogs/streptome [13] |
| PubChem NP | 2938 | 2813 | Generalist | https://pubchem.ncbi.nlm.nih.gov [5] |
| NANPDB | 6840 | 3912 | Generalist | http://african-compounds.org/nanpdb/ [20] |
| ChEBI NP | 16223 | 15074 | Generalist | https://www.ebi.ac.uk/chebi [3] |
| NPAtlas | 20036 | 18909 | Bacteria, Fungi | https://www.npatlas.org [7] |
| TCMDB | 58388 | 50910 | Plants | http://tcm.cmu.edu.tw [6] |
| InterBioScreen NP | 67910 | 66789 | Generalist | https://www.ibscreen.com/screening-compounds-download [16] |
| Manually curated dataset | 77651 | 74368 | Generalist | [2] |
| ZINC NP | 85201 | 67320 | Generalist | https://zinc15.docking.org/substances/subsets/natural-products |
| UNPD (via ISDB) | 213206 | 157089 | Generalist | http://oolonek.github.io/ISDB [14] |
| Super Natural II (not in the training set) | 84554 | 59121 | Generalist | bioinf-applied.charite.de/supernatural_new [17] |