[Book] Chemoinformatics (No. 2196)
【Available for preview】~ Composition prediction, chemical structure generation, synthesis pathway exploration, reaction condition optimization, toxicity assessment ~
Book Title: Optimization and Analysis Methods for Data Collection in Chemoinformatics ◎ 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 analysis methods? What will the prediction accuracy be? ■ Key Points of this Book ≪1≫ Representation and Quantification of Chemical Structures and Descriptor Design Methods ≪2≫ Considerations in Data Collection and Database Construction ≪3≫ Creation of Datasets and Examples of Various Analysis Methods ≪4≫ Specific Applications of Machine Learning and Their Examples ≪5≫ Exploration of Synthetic Pathways and Optimization of Reaction Conditions ≪6≫ Applications in Chemical Substance and Material Design, as well as Drug Development
- Company:技術情報協会
- Price:10,000 yen-100,000 yen