Why Deep Models Often cannot Beat Non-deep Counterparts on Molecular Property Prediction?

Jun Xia Lecheng Zhang Xiao Zhu Stan Z. Li

Published in: CoRR (2023)

Keyphrases

prediction model
data sets
complex systems
predictive model
prior knowledge
probabilistic model
experimental data
prediction accuracy
statistical model
computational models
prediction algorithm
information systems
feature selection
case study
model selection
models built