Computational Toxicology

Methods and Protocols

Specificaties
Gebonden, blz. | Engels
Springer New York | e druk, 2018
ISBN13: 9781493978984
Rubricering
Springer New York e druk, 2018 9781493978984
Onderdeel van serie Methods in Molecular Biology
Verwachte levertijd ongeveer 9 werkdagen

Samenvatting

This volume explores techniques that are currently used to understand solid target-specific models in computational toxicology. The chapters are divided into four sections and discuss topics such as molecular descriptors, QSAR and read-across; molecular and data modeling techniques to comply with both scientific and regulatory sides; computational toxicology in drug discovery; and strategies on how to predict various human-health toxicology endpoints. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the methods and software tools used, step-by-step, readily reproducible computational protocols, and tips on troubleshooting and avoiding known pitfalls.

Comprehensive and cutting-edge, Computational Toxicology: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this expanding field.

Specificaties

ISBN13:9781493978984
Taal:Engels
Bindwijze:gebonden
Uitgever:Springer New York

Inhoudsopgave

<div>Molecular Descriptors For Structure-Activity Applications: A Hands-On Approach.-&nbsp;The OECD QSAR Toolbox Starts Its Second Decade.-&nbsp;QSAR: What Else? .-&nbsp;(Q)SARs as Adaptations to REACH Information Requirements.-&nbsp;Machine Learning Methods In Computational Toxicology.-&nbsp;Applicability Domain: A Step Toward Confident Predictions And Decidability for QSAR Modeling.-&nbsp;Molecular Similarity In Computational Toxicology.-&nbsp;Molecular Docking for Predictive Toxicology.-&nbsp;Criteria and Application on the use of Non-Testing Methods within a Weight of Evidence Strategy.-&nbsp;Characterization and Management of Uncertainties in Toxicological Risk Assessment: Examples from the Opinions of the European Food Safety Authority.-&nbsp;Computational Toxicology and Drug Discovery.-&nbsp;Approaching Pharmacological Space: Events and Components.-&nbsp;Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation.-&nbsp;Enalos Suite:New Cheminformatics Platform for Drug Discovery and Computational Toxicology.-&nbsp;Ion Channels In Drug Discovery and Safety Pharmacology.-&nbsp;Computational Approaches in Multi-Target Drug Discovery.-&nbsp;Nano-Formulations for Drug Delivery: Safety, Toxicity, and Efficacy.-&nbsp;Toxicity Potential Of Nutraceuticals.-&nbsp;Impact of Pharmaceuticals on the Environment: Risk Assessment using QSAR Modeling Approach.-&nbsp;(Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks.-&nbsp;Stem Cell-Based Methods to Predict Developmental Chemical Toxicity.-&nbsp;Predicting Chemically-Induced Skin Sensitisation by using In Chemico/In Vitro Methods.-&nbsp;Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways using Gene Expression Data.-&nbsp;Non-Test Methods to Predict Acute Toxicity: State of Art for Applications of In Silico Methods.-&nbsp;Predictive Systems Toxicology.-&nbsp;Chemoinformatic Approach to Assess Toxicity of Ionic Liquids.-&nbsp;Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results.</div><div><br></div><div><br></div>

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        Computational Toxicology