Journal article
Chemical space mimicry for drug discovery
- Abstract:
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We describe a new library generation method, Machine-based Identification of Molecules Inside Characterized Space (MIMICS), that generates sets of molecules inspired by a text-based input. MIMICS-generated libraries were found to preserve distributions of properties while simultaneously increasing structural diversity. Newly identified MIMICS-generated compounds were found to be bioactive as inhibitors of specific components of the unfolded protein response (UPR) and the VEGFR2 pathway in cel...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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- Files:
-
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(Accepted manuscript, pdf, 721.4KB)
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- Publisher copy:
- 10.1021/acs.jcim.6b00754
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Authors
Bibliographic Details
- Publisher:
- American Chemical Society Publisher's website
- Journal:
- Journal of Chemical Information and Modeling Journal website
- Volume:
- 57
- Issue:
- 4
- Pages:
- 875–882
- Publication date:
- 2017-03-03
- DOI:
- EISSN:
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1549-960X
- ISSN:
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1549-9596
- Source identifiers:
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688911
Item Description
- Language:
- English
- Pubs id:
-
pubs:688911
- UUID:
-
uuid:6e7cbdb8-045b-4c1d-80de-4e2d6f3e3a6b
- Local pid:
- pubs:688911
- Deposit date:
- 2017-04-18
Terms of use
- Copyright holder:
- American Chemical Society
- Copyright date:
- 2017
- Notes:
- Copyright © 2017 American Chemical Society. This is the accepted manuscript version of the article. The final version is available online from American Chemical Society at: https://doi.org/10.1021/acs.jcim.6b00754
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