Neural network correction for heats of formation with a larger experimental training set and new descriptors

Keyphrases

• Neural Network 100%
• Training Set 100%
• Heat of Formation 100%
• New Descriptor 100%
• Network Error Correction 100%
• Experimental Training 100%
• B3LYP 66%
• Organic-inorganic 33%
• First-principles Method 33%
• Natural Bond Orbital 33%
• Root Mean Square Deviation 33%
• Organic Molecules 33%
• Inorganic Molecules 33%
• Organic Lead 33%
• Calculation Results 33%
• Inorganic Radicals 33%
• Neural Network Method 33%
• Systematic Deviation 33%

Chemistry

• DFT-B3LYP Calculation 100%
• Enthalpy of Formation 100%
• First Principle 50%
• Organic Molecule 50%
• Natural Bond Orbital Analysis 50%