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Deep reinforcement learning for de novo drug design
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We introduce an artificial intelligence approach to de novo design of molecules with desired physical or biological properties.
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Metadata
- Authors
- Popova, M., Isayev, O., & Tropsha, A.
- Venue
- Science Advances
- Published
- 2018-07-06
- Volume
- 4
- Issue
- 7
- Pages
- eaap7885-eaap7885
- ISSN
- 2375-2548 (ISSN-L)
- OpenAlex
- W2773987374
- Cited by
- 1,182
- References
- 14
- FWCI
- 66.04
- Type
- journal article
- Language
- en
- Open access
- gold
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