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A neural network which learns chemistry
- deleted 9y ago[deleted]
- marcosdumay 9y agoThat part was funny: > Neural networks are useful tools, even comparable to human intuition, but Parkhill and Aspuru-Guzik agree they cannot replace trained chemists. `Chemists [can] make rational choices about molecular structures in the same way a chess grandmaster makes decisions about chess.` I don't think they have said both phrases as close together as they appeared on the article.
- EternalData 9y agoHa! I do think it goes back to the old romantic thought of chess as a symbol of impregnable notions of human intelligence ... probably a bit too late for that thought nowadays
- randcraw 9y agoThis Kaggle competition was 5 years ago, but sounds awfully similar (selective molecular binding energy estimation). https://www.kaggle.com/c/MerckActivity https://www.kaggle.com/c/MerckActivity It was won by Dahl, Salakhutdinov, Jaitly, Jordan-Squire, and Geoff Hinton using deep learning.
- nyxtom 9y agoWhy make predictions about chemistry when you can simulate molecules in totality? https://www.chemistryworld.com/news/quantum-computer-simulates-hydrogen-molecule-/1010041.article https://www.chemistryworld.com/news/quantum-computer-simulat...