Computational Toxicology

Can the Predictive Analytics Toolkit (PAT) handle a genomic data set?

Publication date: November 2022Source: Computational Toxicology, Volume 24Author(s): Ted W. Simon, Louis A. (Tony) Cox, Richard A. Becker

By ScienceDirect Publication: Computational Toxicology, 2 years ago

Dehydroacetic acid hydrazones as potent enzyme inhibitors: design, synthesis and computational studies

Publication date: November 2022Source: Computational Toxicology, Volume 24Author(s): Raman Lakhia, Neera Raghav, Rashmi Pundeer

By ScienceDirect Publication: Computational Toxicology, 2 years ago

In silico prediction of dermal absorption from non-dietary exposure to plant protection products

Publication date: November 2022Source: Computational Toxicology, Volume 24Author(s): Christian J. Kuster, Jenny Baumann, Sebastian M. Braun, Philip Fisher, Nicola J. Hewitt, Michael Beck, Fabian Weysser, Linus Goerlitz, Petrus Salminen, Christian R. Di…

By ScienceDirect Publication: Computational Toxicology, 2 years ago

Computational investigation of dioxin-like compounds as human sex hormone-binding globulin inhibitors: DFT calculations, docking study and molecular dynamics simulations

Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Nikita Tiwari, Ashutosh Kumar, Anjali Pandey, Anil Mishra

By ScienceDirect Publication: Computational Toxicology, 3 years ago

Computational Toxicology

Differences between in vitro and in vivo genotoxicity due to metabolism: The role of kinetics

Publication date: May 2022Source: Computational Toxicology, Volume 22Author(s): P.I. Petkov, H. Ivanova, M. Honma, T. Yamada, T. Morita, A. Furuhama, S. Kotov, E. Kaloyanova, G. Dimitrova, O. Mekenyan

By ScienceDirect Publication: Computational Toxicology, 3 years ago

Computational Toxicology

Reflections of the QSAR2021 meeting

Publication date: May 2022Source: Computational Toxicology, Volume 22Author(s): Grace Patlewicz

By ScienceDirect Publication: Computational Toxicology, 3 years ago

Computational Toxicology

A strategy to define applicability domains for read-across

Publication date: May 2022Source: Computational Toxicology, Volume 22Author(s): Cynthia Pestana, Steven J. Enoch, James W. Firman, Judith C. Madden, Nicoleta Spînu, Mark T.D. Cronin

By ScienceDirect Publication: Computational Toxicology, 3 years ago

Computational Toxicology

Assessment of uncertainty and credibility of predictions by the OECD QSAR Toolbox automated read-across workflow for predicting acute oral toxicity

Publication date: May 2022Source: Computational Toxicology, Volume 22Author(s): Terry W. Schultz, Atanas Chapkanov, Stela Kutsarova, Ovanes G. Mekenyan

By ScienceDirect Publication: Computational Toxicology, 3 years ago

Computational Toxicology

Computational Toxicology

Can the Predictive Analytics Toolkit (PAT) handle a genomic data set?

Computational Toxicology

Dehydroacetic acid hydrazones as potent enzyme inhibitors: design, synthesis and computational studies

Computational Toxicology

<em>In silico</em> prediction of dermal absorption from non-dietary exposure to plant protection products

Computational Toxicology

Computational investigation of dioxin-like compounds as human sex hormone-binding globulin inhibitors: DFT calculations, docking study and molecular dynamics simulations

Computational Toxicology

Differences between <em>in vitro</em> and <em>in vivo</em> genotoxicity due to metabolism: The role of kinetics

Computational Toxicology

Reflections of the QSAR2021 meeting

Computational Toxicology

A strategy to define applicability domains for read-across

Computational Toxicology

Assessment of uncertainty and credibility of predictions by the OECD QSAR Toolbox automated read-across workflow for predicting acute oral toxicity

Computational Toxicology

Non-linearity in cancer dose-response: The role of exposure duration

Computational Toxicology

Estimating the reliability of simulated metabolism using documented data and theoretical knowledge. QSAR application