Molecular optimization by capturing chemist's intuition using deep neural networks - researchr publication authors

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Jiazhen He, Huifang You, Emil Sandström, Eva Nittinger, Esben Jannik Bjerrum, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist. Molecular optimization by capturing chemist's intuition using deep neural networks. J. Cheminformatics, 13(1):26, 2021. [doi]

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