Concepedia

TranGRU: focusing on both the local and global information of molecules for molecular property prediction

Jing Jiang, Ruisheng Zhang, Jun Ma, Yunwu Liu, Enjie Yang, Shikang Du, Zhili Zhao, Yongna Yuan

Applied Intelligence · 2022 · 27 citations · 39 references

Open access

Concepts

PharmacyBioinformaticsChemistryComputational ChemistryDrug DiscoveryStructural BioinformaticsChemical Space AnalysisChemical Space ExplorationMolecular DescriptorsMolecular ModelingMolecular Property PredictionStructure PredictionDeep Learning For Molecular PropertiesFeature Engineering For Molecular DataMachine Learning Property PredictionQuantitative Structure - Property Relationship ModelingQuantum Chemical Property Prediction

References

39

Deep Residual Learning for Image Recognition

Kaiming He, Xiangyu Zhang, Shaoqing Ren et al. · 2016 · 222.1K citations · Full text

Computing, Computer Science, Computer Vision +11

Long Short-Term Memory

Sepp Hochreiter, Jürgen Schmidhuber · Neural Computation · 1997 · 98.1K citations

Computing, Computer Science, Algorithms +16

Advances in neural information processing systems 7

Krzysztof J. Cios, Mark E. Shields · Neurocomputing · 1997 · 22.3K citations

Computing, Computer Science, Neuroscience +14

Learning long-term dependencies with gradient descent is difficult

Yoshua Bengio, P. Simard, Paolo Frasconi · IEEE Transactions on Neural Networks · 1994 · 8.5K citations

Computing, Computer Science, Machine Learning +9

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +5