BATCH DOWNLOAD
| S. No. | File description | File size | Download | Release date |
|---|---|---|---|---|
| 1 | Names and identifiers of chemicals List of 113 chemicals with their PubChem identifier, CAS Number, DTSXID, Name, IUPAC Name, SMILES, InChI and InChIKey | 31K |  | 10/10/2023 |
| 2 | Classification and categorization of chemicals List of 113 chemicals with their chemical Kingdom, cheimcal SuperClas, chemical Class, Environmental source - broad category and Environmental source - sub-category | 23K | | 10/10/2023 |
| 3 | Literature evidence, reported exposure, exposure category, evidence levels List of literature evidences for 113 chemicals along with reported exposures, standardized exposure category and standardized evidence levels | 24K | | 10/10/2023 |
| 4 | Physicochemical properties List of 113 chemicals and their Physicochemical properties, namely, Molecular weight, Log P, TPSA, Hydrogen bond acceptors, Hydrogen bond donors, Carbon atoms, Heavy atoms, Heteroatoms, Chiral centers and Rotatable bonds | 6.8K | | 10/10/2023 |
| 5 | Predicted ADMET properties List of 113 chemicals with their predicted ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties | 24K | | 10/10/2023 |
| 6 | ToxCast skin assays List of chemicals with reported ToxCast skin assays, and the corresponding end point values | 46K | | 10/10/2023 |
| 7 | Predicted molecular descriptors List of chemicals with their predicted 1D, 2D and 3D Molecular descriptors computed using PaDEL | 25M | | 10/10/2023 |
| 8 | 2D structures A single sdf file with 2-dimensional structure of 113 chemicals | 593K |  | 10/10/2023 |
| 9 | 3D structures A single sdf file with 3-dimensional structure of 113 chemicals | 631K | | 10/10/2023 |
DISCLAIMER
ViCEKb is a knowledgebase of chemicals linked with pathogenesis of vitiligo in humans that have been curated from various published case study reports, clinical observation reports and research articles. The authors are not liable for any inaccuracies or omissions of any chemicals or published scientific literature pertaining to vitiligo-triggering chemicals in this resource. Users are advised to exercise their own discretion while judging the weight of evidence for vitiligo-triggering chemicals compiled in this resource. Importantly, our sole goal to build this resource on potential vitiligo-triggering chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.