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Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results

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Computational Toxicology

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1800))

Abstract

Quantitative structure–activity relationships (QSARs) for prediction of toxicological endpoints built up with the CORAL software are discussed. Prejudices related to these QSAR models are listed. Possible ways to improve the software are discussed.

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Acknowledgments

The authors thank the project EU LIFE-COMBASE (contract LIFE15 ENV/ES/000416) for financial support.

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Authors and Affiliations

  1. Laboratory of Environmental Chemistry and Toxicology, IRCCS—Istituto di Ricerche Farmacologiche Mario Negri, Milan, Italy

    Andrey A. Toropov, Alla P. Toropova, Alessandra Roncaglioni & Emilio Benfenati

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  1. Andrey A. Toropov
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  2. Alla P. Toropova
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  3. Alessandra Roncaglioni
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  4. Emilio Benfenati
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Correspondence to Andrey A. Toropov .

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  1. Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari Aldo Moro, Bari, Italy

    Orazio Nicolotti

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Toropov, A.A., Toropova, A.P., Roncaglioni, A., Benfenati, E. (2018). Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results. In: Nicolotti, O. (eds) Computational Toxicology. Methods in Molecular Biology, vol 1800. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-7899-1_27

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  • DOI: https://doi.org/10.1007/978-1-4939-7899-1_27

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