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Igor V. Tetko

Publishing Neural Networks in Drug Discovery Might Compromise Training Data Privacy

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Oct 22, 2024
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Be aware of overfitting by hyperparameter optimization!

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Jul 30, 2024
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Beyond Chemical 1D knowledge using Transformers

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Oct 07, 2020
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Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis

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Mar 05, 2020
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Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions

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Oct 30, 2019
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Transformer-CNN: Fast and Reliable tool for QSAR

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Oct 21, 2019
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GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks

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Sep 10, 2019
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Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction

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Dec 11, 2018
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