E-GuARD: expert-guided augmentation for the robust detection of compounds interfering with biological assays by Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, Ola Engkvist, Samuel Kaski, Johannes Kirchmair

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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

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Enhancing uncertainty quantification in drug discovery with censored regression labels by Emma Svensson, Hannah Rosa Friesacher, Susanne Winiwarter, Lewis Mervin, Adam Arany, Ola Engkvist

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WEISS: Wasserstein efficient sampling strategy for LLMs in drug design by Riccardo Tedoldi, Junyong Li, Ola Engkvist, Andrea Passerini, Annie M Westerlund, Alessandro Tibo

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