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]](https://bibbase.org/img/filetypes/link.svg "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},
}
Downloads: 0
{"_id":"CLm7tcrSsQBSzadvA","bibbaseid":"yang-swanson-jin-coley-eiden-gao-guzmanperez-hopper-etal-analyzinglearnedmolecularrepresentationsforpropertyprediction-2019","author_short":["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."],"bibdata":{"bibtype":"article","type":"article","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":[{"propositions":[],"lastnames":["Yang"],"firstnames":["Kevin"],"suffixes":[]},{"propositions":[],"lastnames":["Swanson"],"firstnames":["Kyle"],"suffixes":[]},{"propositions":[],"lastnames":["Jin"],"firstnames":["Wengong"],"suffixes":[]},{"propositions":[],"lastnames":["Coley"],"firstnames":["Connor"],"suffixes":[]},{"propositions":[],"lastnames":["Eiden"],"firstnames":["Philipp"],"suffixes":[]},{"propositions":[],"lastnames":["Gao"],"firstnames":["Hua"],"suffixes":[]},{"propositions":[],"lastnames":["Guzman-Perez"],"firstnames":["Angel"],"suffixes":[]},{"propositions":[],"lastnames":["Hopper"],"firstnames":["Timothy"],"suffixes":[]},{"propositions":[],"lastnames":["Kelley"],"firstnames":["Brian"],"suffixes":[]},{"propositions":[],"lastnames":["Mathea"],"firstnames":["Miriam"],"suffixes":[]},{"propositions":[],"lastnames":["Palmer"],"firstnames":["Andrew"],"suffixes":[]},{"propositions":[],"lastnames":["Settels"],"firstnames":["Volker"],"suffixes":[]},{"propositions":[],"lastnames":["Jaakkola"],"firstnames":["Tommi"],"suffixes":[]},{"propositions":[],"lastnames":["Jensen"],"firstnames":["Klavs"],"suffixes":[]},{"propositions":[],"lastnames":["Barzilay"],"firstnames":["Regina"],"suffixes":[]}],"month":"August","year":"2019","note":"Publisher: American Chemical Society","pages":"3370–3388","bibtex":"@article{yang_analyzing_2019,\n\ttitle = {Analyzing learned molecular representations for property prediction},\n\tvolume = {59},\n\tissn = {1549-9596},\n\turl = {https://doi.org/10.1021/acs.jcim.9b00237},\n\tdoi = {10.1021/acs.jcim.9b00237},\n\tnumber = {8},\n\tjournal = {Journal of Chemical Information and Modeling},\n\tauthor = {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},\n\tmonth = aug,\n\tyear = {2019},\n\tnote = {Publisher: American Chemical Society},\n\tpages = {3370--3388},\n}\n\n","author_short":["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."],"key":"yang_analyzing_2019","id":"yang_analyzing_2019","bibbaseid":"yang-swanson-jin-coley-eiden-gao-guzmanperez-hopper-etal-analyzinglearnedmolecularrepresentationsforpropertyprediction-2019","role":"author","urls":{"Paper":"https://doi.org/10.1021/acs.jcim.9b00237"},"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/zotero/kjelljorner","dataSources":["64RFiGdCa5JLg5kLH"],"keywords":[],"search_terms":["analyzing","learned","molecular","representations","property","prediction","yang","swanson","jin","coley","eiden","gao","guzman-perez","hopper","kelley","mathea","palmer","settels","jaakkola","jensen","barzilay"],"title":"Analyzing learned molecular representations for property prediction","year":2019}