Exhaustive local chemical space exploration using a transformer model by Alessandro Tibo, Jiazhen He, Jon Paul Janet, Eva Nittinger, Ola Engkvist

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Numerical Study on the Denitrification Efficiency of Selective Noncatalytic Reduction Technology in Decomposing Furnace by Shunsheng Xu, Jiazhen He, Fei Pei, Kun Li, Lele Liu, Zhiyong Dai

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Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification by Yumeng Zhang, Janosch Menke, Jiazhen He, Eva Nittinger, Christian Tyrchan, Oliver Koch, Hongtao Zhao

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Effect of miR-1285-3p as a diagnostic biomarker for chronic heart failure on vascular endothelial cells by Chongyang Zhang, Jiazhen He, Dan Xiong, Yi Mei, Yao Zhu, Pan Deng, Yang Duan

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Numerical investigation of the influence of thermal protective fabric deformation on heat transfer from thermal radiant heat to human skin by Meiyan Xin, Jiazhen He, Jing Guo, Zhongwei Chen, Aifang He, Yan Chen, Hui Wang

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Evaluation of reinforcement learning in transformer-based molecular design by Jiazhen He, Alessandro Tibo, Jon Paul Janet, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist

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Interfacial Stabilities, Electronic Properties and Interfacial Fracture Mechanism of 6H-SiC Reinforced Copper Matrix Studied by the First Principles Method by Yao Shu, Shaowen Zhang, Yongnan Xiong, Xing Luo, Jiazhen He, Cuicui Yin, Xiaoyong Ding, Kaihong Zheng

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Reinvent 4: Modern AI–driven generative molecule design by Hannes H. Loeffler, Jiazhen He, Alessandro Tibo, Jon Paul Janet, Alexey Voronov, Lewis H. Mervin, Ola Engkvist

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