Name: Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (en Inglés)
SKU: 66860567
Price: 3101.58 MXN
Availability: InStock
Author: Roy, Kunal; Banerjee, Arkaprava
ISBN: 9780443364747

portada Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (en Inglés)

Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (en Inglés)

Formato

Libro Físico

Editorial

Elsevier

Autor

Roy, Kunal; Banerjee, Arkaprava

Idioma

Inglés

N° páginas

350

Encuadernación

Tapa Blanda

ISBN13

9780443364747

Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (en Inglés)

Roy, Kunal; Banerjee, Arkaprava (Autor) · Elsevier · Tapa Blanda

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Reseña del libro "Cheminformatic Modeling and Data Gap Filling for a Green and Sustainable Environment (en Inglés)"

Cheminformatic Modelling and Data Gap Filling for a Green and Sustainable Environment covers the theory and practices of chemical informatics, focusing on modeling various properties and endpoints related to chemicals for improved chemical management and the design of safer chemicals to promote environmental sustainability. Across four sections, the book outlines modeling techniques such as quantitative structure-property relationship (QSPR), read-across, and machine learning for modeling environmental endpoints of chemicals. OECD guidelines are discussed and considered for model development and validation, documentation using the QSAR modeling reporting format (QMRF), and regulatory requirements for result presentation. The book offers full datasets, algorithm information, and real-world case studies for all models, along with worked examples. It will serve as an essential resource for chemists and environmental scientists working in green and sustainable chemistry, but will be a great resource for students and academics at graduate level and above studying cheminformatics. This book will also be of interest to researchers developing new and sustainable chemicals and for decision-makers looking to make industrial processes more sustainable.