[Book] Optimization of Data Collection and Analysis Methods in Chemoinformatics (No. 2196) [Available for Preview]
株式会社TECHNICAL INFOMATION INSTITUTE CO.,LTD
- 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 the prediction accuracy be? ---------------------------- ■ 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 ---------------------------- ● Published: April 28, 2023 ● Format: A4 size, 657 pages ● Authors: 55 ● ISBN: 978-4-86104-944-6 ----------------------------
