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Zustand: New. In English.

Zustand: New. In English.

Zustand: New. Presents chemometrics, cheminformatics and machine learning methods under a single reference Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design Highlights special topics .

Zustand: New. Presents multiple algorithms for QSPR models and machine learning methods for modeling environmental endpointsDiscusses crucial emerging topics in sustainable chemistry, such as mixture property modeling, microplastic toxicity modeling, and.

Zustand: New. Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing Offers case studies relating to the in silico modeling of FDA-approved drugs.

Paperback. Zustand: Brand New. 600 pages. 9.25x7.50x1.61 inches. In Stock.

Paperback. Zustand: Brand New. 350 pages. 5.81x2.11x9.01 inches. In Stock.

Zustand: New. 2023. 1st Edition. paperback. . . . . . Books ship from the US and Ireland.

Zustand: New. 2026. paperback. . . . . . Books ship from the US and Ireland.

Taschenbuch. Zustand: Neu. Neuware - 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.…

Taschenbuch. Zustand: Neu. Neuware - In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design.…