{"id":"W2529996553","doi":"10.1021/acscentsci.7b00572","title":"Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules","year":2018,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":3038,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Institute for Advanced Research; University of Toronto; University of New Brunswick","funders":"Basic Energy Sciences; Division of Graduate Education; Samsung; Samsung Advanced Institute of Technology; Fundación Rafael del Pino; Division of Information and Intelligent Systems; Alfred P. Sloan Foundation; U.S. Department of Energy; National Science Foundation","keywords":"Representation (politics); Encoder; Set (abstract data type); Simple (philosophy); Chemical space; Continuous modelling; Chemical process; Continuous optimization","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null}