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Ecotoxicological QSARs

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Cover of 'Ecotoxicological QSARs'

Table of Contents

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    Book Overview
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    Chapter 1 Ecotoxicological Risk Assessment in the Context of Different EU Regulations
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    Chapter 2 A Brief Introduction to Quantitative Structure-Activity Relationships as Useful Tools in Predictive Ecotoxicology
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    Chapter 3 Best Practices for Constructing Reproducible QSAR Models
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    Chapter 4 Wildlife Sentinels for Human and Environmental Health Hazards in Ecotoxicological Risk Assessment
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    Chapter 5 Importance of Data Curation in QSAR Studies Especially While Modeling Large-Size Datasets
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    Chapter 6 Machine Learning and Deep Learning Methods in Ecotoxicological QSAR Modeling
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    Chapter 7 Use of Machine Learning and Classical QSAR Methods in Computational Ecotoxicology
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    Chapter 8 On the Relevance of Feature Selection Algorithms While Developing Non-linear QSARs
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    Chapter 9 Got to Write a Classic: Classical and Perturbation-Based QSAR Methods, Machine Learning, and the Monitoring of Nanoparticle Ecotoxicity
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    Chapter 10 Ecotoxicological QSAR Modeling of Nanomaterials: Methods in 3D-QSARs and Combined Docking Studies for Carbon Nanostructures
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    Chapter 11 Early Prediction of Ecotoxicological Side Effects of Pharmaceutical Impurities Based on Open-Source Non-testing Approaches
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    Chapter 12 Conformal Prediction for Ecotoxicology and Implications for Regulatory Decision-Making
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    Chapter 13 Read-Across for Regulatory Ecotoxicology
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    Chapter 14 Methodological Protocol for Assessing the Environmental Footprint by Means of Ecotoxicological Tools: Wastewater Treatment Plants as an Example Case
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    Chapter 15 Development of Baseline Quantitative Structure-Activity Relationships (QSARs) for the Effects of Active Pharmaceutical Ingredients (APIs) to Aquatic Species
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    Chapter 16 Ecotoxicological QSARs of Personal Care Products and Biocides
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    Chapter 17 Computational Approaches to Evaluate Ecotoxicity of Biocides: Cases from the Project COMBASE
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    Chapter 18 QSAR Modeling of Dye Ecotoxicity
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    Chapter 19 Ecotoxicological QSARs of Mixtures
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    Chapter 20 QSPR Modeling of Adsorption of Pollutants by Carbon Nanotubes (CNTs)
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    Chapter 21 Ecotoxicological QSAR Modeling of Organophosphorus and Neonicotinoid Pesticides
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    Chapter 22 QSARs and Read-Across for Thiochemicals: A Case Study of Using Alternative Information for REACH Registrations
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    Chapter 23 In Silico Ecotoxicological Modeling of Pesticide Metabolites and Mixtures
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    Chapter 24 Combination of Read-Across and QSAR for Ecotoxicity Prediction: A Case Study of Green Algae Growth Inhibition Toxicity Data
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    Chapter 25 QSAR Approaches and Ecotoxicological Risk Assessment
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    Chapter 26 Multi-scale QSAR Approach for Simultaneous Modeling of Ecotoxic Effects of Pesticides
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    Chapter 27 Quantitative Structure-Toxicity Relationship Models Based on Hydrophobicity and Electrophilicity
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    Chapter 28 Environmental Toxicity (Q)SARs for Polymers as an Emerging Class of Materials in Regulatory Frameworks, with a Focus on Challenges and Possibilities Regarding Cationic Polymers
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    Chapter 29 Ecotoxicity Databases for QSAR Modeling
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    Chapter 30 VEGAHUB for Ecotoxicological QSAR Modeling
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    Chapter 31 Enalos Cloud Platform: Nanoinformatics and Cheminformatics Tools
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    Chapter 32 alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints
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