Molecular optimization by capturing chemist's intuition using deep neural networks

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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