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Journal Articles
- 2020
[j2]Pavel Karpov, Guillaume Godin, Igor V. Tetko:
Transformer-CNN: Swiss knife for QSAR modeling and interpretation. J. Cheminformatics 12(1): 17 (2020)- [j1]Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin:
GEN: highly efficient SMILES explorer using autodidactic generative examination networks. J. Cheminformatics 12(1): 22 (2020)
Conference and Workshop Papers
- 2019
- [c2]Pavel Karpov
, Guillaume Godin, Igor V. Tetko:
A Transformer Model for Retrosynthesis. ICANN (Workshop) 2019: 817-830 - [c1]Igor V. Tetko, Pavel Karpov, Eric Bruno, Talia B. Kimber, Guillaume Godin:
Augmentation Is What You Need! ICANN (Workshop) 2019: 831-835
Informal and Other Publications
- 2024
- [i8]Igor V. Tetko, Ruud van Deursen, Guillaume Godin:
Be aware of overfitting by hyperparameter optimization! CoRR abs/2407.20786 (2024) - 2020
- [i7]Igor V. Tetko, Pavel Karpov, Ruud van Deursen, Guillaume Godin:
Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis. CoRR abs/2003.02804 (2020) - [i6]Ruud van Deursen, Igor V. Tetko, Guillaume Godin:
Beyond Chemical 1D knowledge using Transformers. CoRR abs/2010.01027 (2020) - 2019
- [i5]Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin:
GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks. CoRR abs/1909.04825 (2019) - [i4]Ruud van Deursen, Guillaume Godin:
Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks. CoRR abs/1909.11472 (2019) - [i3]Fabio Capela, Vincent Nouchi, Ruud van Deursen, Igor V. Tetko, Guillaume Godin:
Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions. CoRR abs/1910.13124 (2019) - [i2]Pavel Karpov, Guillaume Godin, Igor V. Tetko:
Transformer-CNN: Fast and Reliable tool for QSAR. CoRR abs/1911.06603 (2019) - 2018
- [i1]Talia B. Kimber, Sebastian Engelke, Igor V. Tetko, Eric Bruno, Guillaume Godin:
Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction. CoRR abs/1812.04439 (2018)
Coauthor Index
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