Published December 22, 2020 | Version 1

Datasets of the proposed models for carcinogenicity assessment based on slope factor.

  • 1. Istituto di Ricerche Farmacologiche Mario Negri IRCCS

Description

Datasets of the classification and regression models for carcinogenicity proposed in the paper "QSAR models for the human carcinogenicity: an assessment based on oral and inhalation slope factors" by Cosimo Toma1,2, Alberto Manganaro3, Giuseppa Raitano1, Marco Marzo1, Domenico Gadaleta1, Diego Baderna1*, Alessandra Roncaglioni1, Nynke Kramer2, Emilio Benfenati1*

1   Laboratory of Chemistry and Environmental Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy

2   Institute for Risk Assessment Sciences (IRAS), Utrecht University, PO Box 80177, 3508 TD Utrecht, the Netherlands

3   Kode Chemoinformatics s.r.l., Pisa, Italy

*   Correspondence: diego.baderna@marionegri.it

Paper is now published on Molecules by MDPI and it is available here DOI:10.3390/molecules26010127

S5 dataset for models based on Oral Slope Factor and S5 dataset for models based on Inhalation Slope Factor.

Models were developed under the framework of LIFE-VERMEER project (LIFE 16ENV/IT7000167).

Notes

Models were developed under the framework of LIFE-VERMEER project (LIFE 16ENV/IT7000167). Datasets are also available on the VEGA app (https://www.vegahub.eu/download/vega-qsar-download/) Paper available here doi:10.3390/molecules26010127

Files

Files (112.3 kB)

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md5:ae7703a81c5ce2e09939017ebc0f3910
54.8 kB Download
md5:a2bd6690a12f70296199536c8d14c933
57.5 kB Download

Additional details

References

  • Toma et al., 2020. QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors. Molecules 26(1), doi:10.3390/molecules26010127