1 | Names and identifiers of chemicals List of 364 tattoo chemicals with their CAS Registry Number, PubChem identifier, DTSXID, Name, IUPAC Name, SMILES, InChI and InChIKey | 131K |  | 1-Aug-2025 |
2 | Classification and categorization of chemicals List of 364 tattoo chemicals with their function in tattoo inks, chemical Kingdom, chemical SuperClass, chemical Class | 33K |  | 1-Aug-2025 |
3 | Physicochemical properties List of 322 of 364 tattoo 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 | 20K |  | 1-Aug-2025 |
4 | Predicted ADMET properties List of 322 of 364 tattoo chemicals with their predicted ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties | 131K |  | 1-Aug-2025 |
5 | Predicted molecular descriptors List of 322 of 364 tattoo chemicals with their predicted 1D, 2D and 3D Molecular descriptors computed using PaDEL | 85M |  | 1-Aug-2025 |
6 | 2D structures A single sdf file with 2-dimensional structure of 322 of 364 tattoo chemicals | 1.8M |  | 1-Aug-2025 |
7 | 3D structures A single sdf file with 3-dimensional structure of 322 of 364 tattoo chemicals | 1.9M |  | 1-Aug-2025 |
8 | Stressor-AOP Links List of 151 of 364 tattoo chemicals and their AOP associations, along with the corresponding OECD status, AO disease classification, coverage score, level of relevance, and mapped KEs | 3.1M |  | 1-Aug-2025 |
9 | ToxCast Endpoints List of 116 of 364 tattoo chemicals and associated active ToxCast Endpoints obtained from ToxCast invitrodb v4.2 | 2.6M |  | 1-Aug-2025 |