Chemometric Modeling of Daphnia Toxicity

• Type: Chapter or Part of a Book
• Date: 2021

Authors

Halder, AK (Author) Other; Natalia N D S Cordeiro (Author) FCUP

Book

Title: Chemometrics and Cheminformatics in Aquatic Toxicology

Pages: 293-317

ISBN: 9781119681397; 9781119681595

Indexing

Scopus - 293 Citations

Other information

Authenticus ID: P-00W-FQ6

DOI: 10.1002/9781119681397.ch15

Abstract (EN): In recent years, estimation of the aqueous toxicity of hazardous chemical substances has driven much of regulatory actions toward environmental pollutants, and chemometric modeling has already become a new standard for this. Daphnia is one of the most commonly used species for testing the aquatic toxicity. This chapter portrays the recent advances of chemometric modeling of daphnia toxicity of various categorized and non-categorized chemical substances. In this context, quantitative structure-toxicity relationship (QSTR) and interspecies quantitative (structure) toxicity-toxicity relationship (QTTR/QSTTR) studies reported in the last 10 years (2010-2020) are discussed in a chronological order. Emphasis is given to the descriptor calculation methods, model development strategies, model validation techniques, and overall outcomes of models in terms of predictability and mechanistic interpretation. Attention is particularly paid to the latest trends and the challenges of chemometric modeling of environment toxicity of chemicals. Finally, future opportunities of such modeling are also discussed at the end of the chapter. © 2022 John Wiley and Sons, Inc.

Language: English

Type (Professor's evaluation): Scientific