most citedSynergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction

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cs.LG2018★ 42 cited

Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction

Talia B. Kimber, Sebastian Engelke, Igor V. Tetko +2

In our study, we demonstrate the synergy effect between convolutional neural networks and the multiplicity of SMILES. The model we propose, the so-called Convolutional Neural Finge…