Overview
This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, quantitative read-across structure-property relationship (q-RASPR) models, optimization strategies with minimal data, and in silico studies using different descriptors. Additionally, it explores machine learning algorithms and their applications in materials science, alongside innovative modeling approaches for quantum-theoretic properties. Overall, the book serves as a comprehensive resource for understanding and applying machine learning in the study and development of advanced materials and is a useful tool for students, researchers and professionals working in these areas.
The book, Materials Informatics I: Methods (Challenges and Advances in Computational Chemistry and Physics #39) [Bulk, Wholesale, Quantity] ISBN#9783031787355 in Hardcover by may be ordered in bulk quantities. Minimum starts at 25 copies. Availability based on publisher status and quantity being ordered.
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