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  • Title
  • Anti Plagiarism certificate
  • Dedication
  • Declaration
  • Certificate
  • Acknowledgement
  • Preface
  • Contents
  • Abbreviations
  • CHAPTER 1 An Overview of Machine Learning in Chemistry
  • CHAPTER 2 Conceptual Details on Machine Learning Algorithms and Computational Methods
  • CHAPTER 3 Relativistic Total Energy Prediction of Simple Atomic and Ionic Species, using Machine learning
  • CHAPTER 4 Prediction of Power Conversion Efficiency of Dye-Sensitized Solar Cells having TPA-Spacer-CAA based Dye Molecules, using Machine Learning
  • CHAPTER 5 Prediction of External Quantum Efficiency of Organic Light-Emitting Diodes having PAH Cored Emitter Molecules, using Machine Learning
  • CHAPTER 6 Summary and Outlook
  • APPENDICES