Prediction of Organic Reaction Outcomes Using Machine Learning
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2017-04-01
|
| Series: | ACS Central Science |
| Online Access: | http://dx.doi.org/10.1021/acscentsci.7b00064 |
| _version_ | 1828880477807706112 |
|---|---|
| author | Connor W. Coley Regina Barzilay Tommi S. Jaakkola William H. Green Klavs F. Jensen |
| author_facet | Connor W. Coley Regina Barzilay Tommi S. Jaakkola William H. Green Klavs F. Jensen |
| author_sort | Connor W. Coley |
| collection | DOAJ |
| first_indexed | 2024-12-13T09:49:39Z |
| format | Article |
| id | doaj.art-4d7c34dcf5e04bb7864c1bfc417ba386 |
| institution | Directory Open Access Journal |
| issn | 2374-7943 2374-7951 |
| language | English |
| last_indexed | 2024-12-13T09:49:39Z |
| publishDate | 2017-04-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Central Science |
| spelling | doaj.art-4d7c34dcf5e04bb7864c1bfc417ba3862022-12-21T23:51:58ZengAmerican Chemical SocietyACS Central Science2374-79432374-79512017-04-013543444310.1021/acscentsci.7b00064Prediction of Organic Reaction Outcomes Using Machine LearningConnor W. Coley0Regina Barzilay1Tommi S. Jaakkola2William H. Green3Klavs F. Jensen4†Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States‡Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States‡Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States†Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States†Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United Stateshttp://dx.doi.org/10.1021/acscentsci.7b00064 |
| spellingShingle | Connor W. Coley Regina Barzilay Tommi S. Jaakkola William H. Green Klavs F. Jensen Prediction of Organic Reaction Outcomes Using Machine Learning ACS Central Science |
| title | Prediction of Organic Reaction Outcomes Using Machine Learning |
| title_full | Prediction of Organic Reaction Outcomes Using Machine Learning |
| title_fullStr | Prediction of Organic Reaction Outcomes Using Machine Learning |
| title_full_unstemmed | Prediction of Organic Reaction Outcomes Using Machine Learning |
| title_short | Prediction of Organic Reaction Outcomes Using Machine Learning |
| title_sort | prediction of organic reaction outcomes using machine learning |
| url | http://dx.doi.org/10.1021/acscentsci.7b00064 |
| work_keys_str_mv | AT connorwcoley predictionoforganicreactionoutcomesusingmachinelearning AT reginabarzilay predictionoforganicreactionoutcomesusingmachinelearning AT tommisjaakkola predictionoforganicreactionoutcomesusingmachinelearning AT williamhgreen predictionoforganicreactionoutcomesusingmachinelearning AT klavsfjensen predictionoforganicreactionoutcomesusingmachinelearning |