Ecotoxicological Qsars

Part I: Introduction

1. Ecotoxicological Risk Assessment in the Context of Different EU Regulations

Antonio Juan Garc燰-Fern嫕dez

2. A Brief Introduction to Quantitative Structure-Activity Relationships as Useful Tools in Predictive Ecotoxicology

Rahul Balasaheb Aher, Kabiruddin Khan, and Kunal Roy

3. Best Practices for Constructing Reproducible QSAR Models

Chanin Nantasenamat

4. Wildlife Sentinels for Human and Environmental Health Hazards in Ecotoxicological Risk Assessment

Antonio Juan Garc燰-Fern嫕dez, Silvia Esp璯, Pilar G鏔ez-Ram甏ez, Emma Mart璯ez-L鏕ez, and Isabel Navas

Part II: Methods and Protocols

5. Importance of Data Curation in QSAR Studies Especially While Modeling Large-Size Data Sets

Pravin Ambure and M. Natália Dias Soeiro Cordeiro

6. Machine Learning and Deep Learning Methods in Ecotoxicological QSAR Modeling

Giuseppina Gini and Francesco Zanoli

7. Use of Machine Learning and Classical QSAR Methods in Computational Ecotoxicology

Renata P.C. Barros, Nat嫮ia F. Sousa, Luciana Scotti, and Marcus T. Scotti

8. On the Relevance of Feature Selection Algorithms While Developing Non-Linear QSARs

Riccardo Concu and M. Natália Dias Soeiro Cordeiro

9. Got to Write a Classic: Classical and Perturbation-Based QSAR Methods, Machine Learning, and the Monitoring of Nanoparticles Ecotoxicity

Ana S. Moura and M. Natália Dias Soeiro Cordeiro

10. Ecotoxicological QSAR Modeling of Nanomaterials: Methods in 3D-QSARs and Combined Docking Studies for Carbon Nanostructures

Bakhtiyor Rasulev

11. Early Prediction of Ecotoxicological Side-Effects of Pharmaceutical Impurities Based on Open-Source Non-Testing Approaches

Anna Rita Tondo, Michele Montaruli, Giuseppe Felice Mangiatordi, and Orazio Nicolotti

12. Conformal Prediction for Ecotoxicology and Implications for Regulatory Decision Making

Fredrik Svensson and Ulf Norinder

13. Read-Across for Regulatory Ecotoxicology

Gulcin Tugcu, Serli 琄l? Ahmet Aydın, and Melek Tker Sa蓷n

14. Methodological Protocol for Assessing the Environmental Footprint by Means of Ecotoxicological Tools: Wastewater Treatment Plants as an Example Case

Part III: Case Studies and Literature Reports

15. Development of Baseline Q