IrCytoToxDB: a dataset of iridium(III) complexes cytotoxicities against various cell lines

Autor: Lev Krasnov, Sergei Tatarin, Daniil Smirnov, Stanislav Bezzubov
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Scientific Data, Vol 11, Iss 1, Pp 1-7 (2024)
Druh dokumentu: article
ISSN: 2052-4463
DOI: 10.1038/s41597-024-03735-w
Popis: Abstract Iridium(III) complexes nowadays became rising stars in various health-related applications. Thus, there is a necessity to assess cytotoxicity of the synthesized molecules against cancer/normal cell lines. In this report, we present a dataset of 2694 experimental cytotoxicity values of 803 iridium complexes against 127 different cell lines. We specify the experimental conditions and provide representation of the complexes molecules in machine-readable format. The dataset provides a starting point for exploration of new iridium-based cellular probes and opens new possibilities for predictions of toxicities and data-driven generation of new organometallic anticancer agents.
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