RuCytoToxDB: a comprehensive dataset of ruthenium complexes cytotoxicities against various cell lines

RuCytoToxDB contains 12292 experimentally measured cytotoxicity values of 3255 unique ruthenium complexes against 600+ different cell lines reported in the 921 literature papers from 2001 to 2025. The 19 columns of this dataset are explained as follows: SMILES_Ligands — SMILES representation of ligands coordinated to ruthenium ion Counterion — SMILES representation of the counterion(s) (if the complex molecule is charged) Abbreviation_in_the_article — the original abbreviation depicting the complex in the article IC50_Dark(M*10^-6) — value of IC50 originally presented in the article IC50_Dark_standard_error(M*10^-6) — standard error of IC50 originally presented in the article IC50_Dark_value — value of IC50 presented as a number (for machine learning purposes) IC50_Light(M*10^-6) — value of IC50 under irradiation originally presented in the article IC50_Light_standard_error(M*10^-6) — standard error of IC50 under irradiation originally presented in the article IC50_Light_value — value of IC50 under irradiation presented as a number (for machine learning purposes) Excitation_Wavelength(nm) — excitation wavelength related to IC50Light values Irradiation_Time(minutes) — irradiation time related to IC50Light values Irradiation_Power(W*m^-2) — power of light source related to IC50Light values Cell_line — cell line (HeLa, A549, etc.) Time(h) — time of exposure of the complexes to the cell line DOI — DOI of a data source for given values Year — year of a data source for given values IC50_Cisplatin(M*10^-6) — value of cisplatin IC50 originally presented in the article IC50_Cisplatin_standard_error(M*10^-6) — standard error of cisplatin IC50 originally presented in the article IC50_Cisplatin_value — value of cisplatin IC50 presented as a number (for machine learning purposes)