- Abstract:
-
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...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Accepted Manuscript
- Files:
-
-
(pdf, 721.4KB)
-
- Publisher copy:
- 10.1021/acs.jcim.6b00754
-
Version unsuitable
-
We have not obtained a suitable full-text for a given research output. See this page for more information.
-
Recently completed
-
Sometimes content is held in ORA but is unavailable for a fixed period of time to comply with the policies and wishes of rights holders.
-
Permissions
-
All content made available in ORA should comply with relevant rights, such as copyright. See this page for more information.
-
Clearance
-
Some thesis volumes scanned as part of the digitisation scheme funded by Dr Leonard Polonsky are currently unavailable due to sensitive material or uncleared third-party copyright content. We are attempting to contact authors whose theses are affected.
- 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:
-
1549-960X
- ISSN:
-
1549-9596
- Pubs id:
-
pubs:688911
- URN:
-
uri:6e7cbdb8-045b-4c1d-80de-4e2d6f3e3a6b
- UUID:
-
uuid:6e7cbdb8-045b-4c1d-80de-4e2d6f3e3a6b
- Local pid:
- pubs:688911
- Paper number:
- 4
- Language:
- English
- 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
Journal article
Chemical space mimicry for drug discovery
Actions
Access Document
Why is the content I wish to access not available via ORA?
Bibliographic data (the information relating to research outputs) and full-text items (e.g. articles, theses, reports, etc.) arrive in ORA from several different sources. Unfortunately we are not able to make available the full-text for every research output.
Please contact the ORA team (
) if you have queries regarding unavailable content OR if you are aware of a full-text copy we can make available.
) if you have queries regarding unavailable content OR if you are aware of a full-text copy we can make available.
Content may be unavailable for the following four reasons
Alternative access to the full-text
You may be able to access the full-text directly from the publisher's website using the 'Publisher Copy' link in the 'Links & Downloads' box from a research output's ORA record page. This method may require an institutional or individual subscription to the journal/resource.
Authors
Bibliographic Details
Item Description
Terms of use
If you are the owner of this record, you can report an update to it here: Report update to this record