Computational Toxicology : Methods and Protocols / edited by Orazio Nicolotti.

Format:

Book

Contributor:

Nicolotti, Orazio, editor.

SpringerLink (Online service)

Series:

Methods in molecular biology 1064-3745 ; 1800.

Methods in Molecular Biology, 1064-3745 ; 1800

Language:

English

Subjects (All):

Medicine.

Pharmacology.

Biomedicine.

Pharmacology/Toxicology.

Local Subjects:

Biomedicine.

Pharmacology/Toxicology.

Physical Description:

1 online resource (XVI, 587 pages) : 177 illustrations, 115 illustrations in color.

Contained In:

Springer eBooks

Place of Publication:

New York, NY : Springer New York : Imprint: Humana Press, 2018.

System Details:

text file PDF

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.

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.

Other Format:

Printed edition:

ISBN:

9781493978991

Access Restriction:

Restricted for use by site license.