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. Author manuscript; available in PMC: 2021 Apr 29.
Published in final edited form as: Phys Chem Chem Phys. 2020 Apr 29;22(16):8373–8390. doi: 10.1039/d0cp00305k

Table 4:

The quantitative summary of four toxicity datasets. The original datasets and prediction results are available at https://www.epa.gov/chemical-research/toxicity-estimation-software-tool-test.

Data set Total size Train set size Test set size Max value Min value
LD50 7413 5931 1482 7.201 0.291
IGC50 1792 1434 358 6.36 0.334
LC50 823 659 164 9.261 0.037
LC50-DM 353 283 70 10.064 0.117