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NRAC controls CD36-mediated fatty acid uptake in adipocytes and lipid clearance in vivo.
The EMBO journal
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Krüger FP, Östman J, Mervin L, Tetko IV, Engkvist O (2025)
Publishing neural networks in drug discovery might compromise training data privacy.
Journal of cheminformatics, Issue 1, Vol. 17, 38
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Mousa N, Varbanov HP, Kaipanchery V, Gabano E, Ravera M, Toropov AA, Charochkina L, Menezes F, Godin G, Tetko IV (2025)
Online OCHEM multi-task model for solubility and lipophilicity prediction of platinum complexes.
Journal of inorganic biochemistry, Vol. 269, 112890
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Torren-Peraire P, Verhoeven J, Herman D, Ceulemans H, Tetko IV, Wegner JK (2025)
Improving route development using convergent retrosynthesis planning.
Journal of cheminformatics, Issue 1, Vol. 17, 26
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Hartog PBR, Westerlund AM, Tetko IV, Genheden S (2025)
Investigations into the Efficiency of Computer-Aided Synthesis Planning.
Journal of chemical information and modeling, Issue 4, Vol. 65, 1771-1781
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Assessment of fine-tuned large language models for real-world chemistry and material science applications.
Chemical science, Issue 2, Vol. 16, 670-684
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Han Z, Xia Z, Xia J, Tetko IV, Wu S (2025)
The state-of-the-art machine learning model for plasma protein binding prediction: Computational modeling with OCHEM and experimental validation.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Vol. 204, 106946
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