[Book] Optimization of Data Collection and Analysis Methods in Chemoinformatics (No. 2196) [Available for Preview]

- Prediction of composition and generation of chemical structures, exploration of synthesis pathways and optimization of reaction conditions, toxicity assessment
◎ How can we predict unknown areas of chemical substances from "limited data" and "uneven data"?
◎ What kind of data is needed? What are the application examples of analytical methods? What will be the level of prediction accuracy?
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■ Table of Contents
Chapter 1: Representation and Quantification of Chemical Structures and Design and Utilization of Descriptors
Chapter 2: Considerations in Data Collection and Database Construction
Chapter 3: Creation of Datasets and Application Examples of Various Analytical Methods
Chapter 4: Specific Applications of Machine Learning and Their Examples
Chapter 5: Application Examples for Exploration of Synthesis Pathways and Optimization of Reaction Conditions for Chemical Substances
Chapter 6: Application Examples for Chemical Substance and Material Design
Chapter 7: Toxicity Assessment Methods for Chemical Substances and Their Examples
Chapter 8: Application Examples in Pharmaceutical Development
Chapter 9: Collaboration and Application Examples with Analytical Informatics
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● Publication Date: April 28, 2023 ● Format: A4, 657 pages
● Authors: 55 ● ISBN: 978-4-86104-944-6
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