A fragmented-data neural network with a five-descriptor molecular basis predicts alkane boiling point, heat capacity, vapor pressure, flash point, melting point, and kinematic viscosity, and flags erroneous flash point data.
Baled, Dazun Xing, Harrison Katz, Deepak Tapriyal, Isaac K
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Predicting physical properties of alkanes with neural networks
A fragmented-data neural network with a five-descriptor molecular basis predicts alkane boiling point, heat capacity, vapor pressure, flash point, melting point, and kinematic viscosity, and flags erroneous flash point data.