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. 2024 Jul 26;12:1452. Originally published 2023 Nov 9. [Version 2] doi: 10.12688/f1000research.131508.2

Table sd1. Ligand libraries used in the study.

Library Number of compounds Database Description Source: available for download from the following online databases
Natural products with experimentally verified in vivo activity 1,500 Zinc SDF files of approved natural products with in vivo efficacy http://blaster.docking.org/zinc/.
(RRID:SCR_002700)
Food and Drug Administration (FDA) approved medications 1,100 DrugBank SDF files of FDA approved drugs http://www.drugbank.ca/.
(RRID:SCR_002700)
FDA approved medications 1,614 Zinc SDF files of FDA approved drugs http://blaster.docking.org/zinc/.
(RRID:SCR_002700)
Worldwide (not FDA) approved medications 3,440 DrugBank SDF files of worldwide approved drugs non-FDA http://www.drugbank.ca/.
(RRID:SCR_002700)
Worldwide (not FDA) approved medications 4,288 Zinc SDF files of FDA approved drugs http://blaster.docking.org/zinc/.
(RRID:SCR_002700)
Naturaceuticals 74 DrugBank SDF files of approved natraceutics http://www.drugbank.ca/.
(RRID:SCR_002700)
Final Comprehensive library compiled composed of all compounds listed above, redundant structures were excluded 7,476 DrugBank and Zinc SDF files of all FDA and worldwide approved medications and natural products in addition to natural products with verified physiological activity http://www.drugbank.ca/.
(RRID:SCR_002700)
http://blaster.docking.org/zinc/.
(RRID:SCR_002700)