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Advanced machine learning for innovative drug discovery by Igor V. Tetko, Djork-Arné Clevert
Published 2025-08-01Get full text
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Be aware of overfitting by hyperparameter optimization! by Igor V. Tetko, Ruud van Deursen, Guillaume Godin
Published 2024-12-01Get full text
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Publishing neural networks in drug discovery might compromise training data privacy by Fabian P. Krüger, Johan Östman, Lewis Mervin, Igor V. Tetko, Ola Engkvist
Published 2025-03-01Get full text
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Improving route development using convergent retrosynthesis planning by Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
Published 2025-02-01Get full text
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