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Computational Toxicology Methods and Protocols
Title
Computational Toxicology [electronic resource] : Methods and Protocols / edited by Orazio Nicolotti.
ISBN
9781493978991
Publication
New York, NY : Springer New York : Imprint: Humana Press, 2018.
Physical Description
1 online resource (XVI, 587 p.) 177 illus., 115 illus. in color.
Local Notes
Access is available to the Yale community.
Access and use
Access restricted by licensing agreement.
Summary
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 both with 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.
Variant and related titles
Springer protocols (Series)
Other formats
Printed edition:
Format
Books / Online
Language
English
Added to Catalog
August 31, 2018
Series
Methods in Molecular Biology, 1800
Contents
Molecular Descriptors For Structure-Activity Applications: A Hands-On Approach
The OECD QSAR Toolbox Starts Its Second Decade
QSAR: What Else?
(Q)SARs as Adaptations to REACH Information Requirements
Machine Learning Methods In Computational Toxicology
Applicability Domain: A Step Toward Confident Predictions And Decidability for QSAR Modeling
Molecular Similarity In Computational Toxicology
Molecular Docking for Predictive Toxicology
Criteria and Application on the use of Non-Testing Methods within a Weight of Evidence Strategy
Characterization and Management of Uncertainties in Toxicological Risk Assessment: Examples from the Opinions of the European Food Safety Authority
Computational Toxicology and Drug Discovery
Approaching Pharmacological Space: Events and Components
Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation
Enalos Suite: New Cheminformatics Platform for Drug Discovery and Computational Toxicology
Ion Channels In Drug Discovery and Safety Pharmacology
Computational Approaches in Multi-Target Drug Discovery
Nano-Formulations for Drug Delivery: Safety, Toxicity, and Efficacy
Toxicity Potential Of Nutraceuticals
Impact of Pharmaceuticals on the Environment: Risk Assessment using QSAR Modeling Approach
(Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks
Stem Cell-Based Methods to Predict Developmental Chemical Toxicity
Predicting Chemically-Induced Skin Sensitisation by using In Chemico/In Vitro Methods
Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways using Gene Expression Data
Non-Test Methods to Predict Acute Toxicity: State of Art for Applications of In Silico Methods
Predictive Systems Toxicology
Chemoinformatic Approach to Assess Toxicity of Ionic Liquids
Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results.
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