Application of Machine Learning and Reaction Optimization for the Iterative Improvement of Enantioselectivity of Cinchona-Derived Phase Transfer Catalysts

Keyphrases

• Enantioselectivity 100%
• Machine Learning Applications 100%
• Machine Learning 100%
• Phase Transfer Catalyst 100%
• Iterative Improvement 100%
• Machine Learning Optimization 100%
• Reaction Optimization 100%
• Cinchona 100%
• 2D Techniques 66%
• Small Molecules 33%
• Optimization Approach 33%
• Reaction Conditions 33%
• High-throughput Methods 33%
• Model Performance 33%
• Molecular Design 33%
• Training Set 33%
• Machine Learning Approach 33%
• New Catalysts 33%
• 3D Method 33%
• Catalyst System 33%
• Conjugate Addition 33%
• Random Forest 33%
• Cinchonidine 33%
• Quat 33%
• Chemical Intuition 33%
• 2D Molecular Descriptors 33%
• Descriptor Combination 33%
• Letermovir 33%
• Intuition Learning 33%

Chemistry

• Enantioselectivity 100%
• Phase-Transfer Catalyst 100%
• Molecular Design 50%
• Cinchonidine 50%

Chemical Engineering

• Learning System 100%
• Molecular Design 20%