Analyzing learned molecular representations for property prediction. Yang, K., Swanson, K., Jin, W., Coley, C., Eiden, P., Gao, H., Guzman-Perez, A., Hopper, T., Kelley, B., Mathea, M., Palmer, A., Settels, V., Jaakkola, T., Jensen, K., & Barzilay, R. Journal of Chemical Information and Modeling, 59(8):3370–3388, August, 2019. Publisher: American Chemical Society
Analyzing learned molecular representations for property prediction [link]Paper  doi  bibtex   
@article{yang_analyzing_2019,
	title = {Analyzing learned molecular representations for property prediction},
	volume = {59},
	issn = {1549-9596},
	url = {https://doi.org/10.1021/acs.jcim.9b00237},
	doi = {10.1021/acs.jcim.9b00237},
	number = {8},
	journal = {Journal of Chemical Information and Modeling},
	author = {Yang, Kevin and Swanson, Kyle and Jin, Wengong and Coley, Connor and Eiden, Philipp and Gao, Hua and Guzman-Perez, Angel and Hopper, Timothy and Kelley, Brian and Mathea, Miriam and Palmer, Andrew and Settels, Volker and Jaakkola, Tommi and Jensen, Klavs and Barzilay, Regina},
	month = aug,
	year = {2019},
	note = {Publisher: American Chemical Society},
	pages = {3370--3388},
}

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