Thermo Predictor Performance

Hydrocarbon
Small Cyclics
Molecular ConvNet

2.87

kcal/mol
Hydrocarbon
Large Linear Polycyclics
Molecular ConvNet

2.01

kcal/mol
Hydrocarbon
Large Fused Polycyclics
Molecular ConvNet

2.04

kcal/mol
Oxygenate
Small Cyclics
Molecular ConvNet

1.16

kcal/mol
Oxygenate
Large Linear Polycyclics
Molecular ConvNet

1.45

kcal/mol
Oxygenate
Large Fused Polycyclics
Molecular ConvNet

1.68

kcal/mol