Chemometrics and Cheminformatics in Aquatic Toxicology

Explore chemometric and cheminformatic techniques and tools in aquatic toxicology

Chemometrics  and Cheminformatics in Aquatic Toxicology delivers an exploration of  the existing and emerging problems of contamination of the aquatic  environment through various metal and organic pollutants, including  industrial chemicals, pharmaceuticals, cosmetics, biocides,  nanomaterials, pesticides, surfactants, dyes, and more. The book  discusses different chemometric and cheminformatic tools for non-experts  and their application to the analysis and modeling of toxicity data of  chemicals to various aquatic organisms.  

You’ll learn about a  variety of aquatic toxicity databases and chemometric software tools and  webservers as well as practical examples of model development,  including illustrations. You’ll also find case studies and literature  reports to round out your understanding of the subject. Finally, you’ll  learn about tools and protocols including machine learning, data mining,  and QSAR and ligand-based chemical design methods.  

Readers will also benefit from the inclusion of:
  A thorough introduction to chemometric and cheminformatic tools and  techniques, including machine learning and data mining  An exploration  of aquatic toxicity databases, chemometric software tools, and  webservers  Practical examples and case studies to highlight and  illustrate the concepts contained within the book  A concise treatment  of chemometric and cheminformatic tools and their application to the  analysis and modeling of toxicity data    
Perfect for researchers  and students in chemistry and the environmental and pharmaceutical  sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will  also earn a place in the libraries of professionals in the chemical  industry and regulators whose work involves chemometrics.