Artificial Intelligence for Chemical Sciences: Concepts, Models, and Applications (Hardcover)

PART I: AI IN CHEMICAL SCIENCES FOR DESIGNING SYNTHETIC PATHWAYS, TOOLS AND TECHNIQUES 1. Applications and Case Studies of AI in Chemical Sciences 2. Computer-Aided Drug Synthesis and Design 3. Computational Tools and Techniques in Planning Organic Synthesis 4. Patenting Artificial Intelligence-Based Technologies in Chemical and Pharmaceutical Sciences PART II: APPLICATION OF COMPUTATIONAL TOOLS, AI, ML FOR PREDICTING TOXICITY AND BIODEGRADATION 5. Machine Learning-Based Toxicity Predication in Chemistry 6. Machine Learning Algorithms for Prediction of Chemical Toxicity 7. Artificial Intelligence-Based Prediction of Drug Metabolism 8. Exploration of Computational Approaches in Toxicity Prediction 9. Navigating Data-Driven AI/ML Models for Toxicity Forecasts 10. AI-Based Models for Prediction of Biodegradation 11. Computer-Based Technologies for Prediction of Biodegradation PART III: APPLICATION OF EXPERT SYSTEMS AND AI IN FAULT DIAGNOSIS AND STRUCTURE REPRESENTATION 12. Exploring the Range of Knowledge-Based Prediction Applications in Chemistry 13. Fault Diagnosis in Chemical Process Plants Using Artificial Intelligence 14. Structure Representation Techniques and Applications in Cheminformatics