Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries

Keyphrases

• Active Learning 100%
• Aqueous Organic Redox Flow Battery 100%
• Plant-based 100%
• Computational Discovery 100%
• Charge Carriers 66%
• Complex Structure 33%
• In Silico 33%
• Computational Study 33%
• Optimization Approach 33%
• Novel Algorithm 33%
• Redox Potential 33%
• Molecular Design 33%
• Positive Charge 33%
• Natural Products 33%
• Negative Charge 33%
• Catholyte 33%
• Anolyte 33%
• Derivatization 33%
• Energy Storage Devices 33%
• Flavonoids 33%
• Synthetic Chemistry 33%
• Search Space 33%
• Machine Learning 33%
• Environmental Toxicity 33%
• Plant Compounds 33%
• Active Learning Algorithm 33%
• Molecular Optimization 33%
• Carrier Molecules 33%
• Redox-active Organic Molecules 33%
• Multi-objective Bayesian Optimization 33%
• Flavone Derivatives 33%
• Natural Scaffolds 33%
• Isoflavone Derivatives 33%

Chemical Engineering

• Learning System 100%
• Scalability 100%
• Molecular Design 100%
• Catholytes 100%
• Flavonoid 100%

Pharmacology, Toxicology and Pharmaceutical Science

• Natural Product 100%
• Flavonoid 100%
• Isoflavone 100%
• Flavone 100%
• Environmental Toxicity 100%