Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences
dc.contributor.author
Riniker, Sereina
dc.date.accessioned
2017-12-11T11:38:54Z
dc.date.available
2017-12-08T14:11:54Z
dc.date.available
2017-12-11T11:38:54Z
dc.date.available
2017-10-06T01:54:18Z
dc.date.available
2017-10-23T13:49:30Z
dc.date.issued
2017-04-24
dc.identifier.issn
1549-9596
dc.identifier.issn
0095-2338
dc.identifier.issn
1520-5142
dc.identifier.other
10.1021/acs.jcim.6b00778
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/219413
dc.language.iso
en
en_US
dc.publisher
American Chemical Society
dc.title
Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences
en_US
dc.type
Journal Article
dc.date.published
2017-04-03
ethz.journal.title
Journal of Chemical Information and Modeling
ethz.journal.volume
57
en_US
ethz.journal.issue
4
en_US
ethz.journal.abbreviated
J. Chem. Inf. Model.
ethz.pages.start
726
en_US
ethz.pages.end
741
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Washington, DC
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::09458 - Riniker, Sereina Z. / Riniker, Sereina Z.
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::09458 - Riniker, Sereina Z. / Riniker, Sereina Z.
en_US
ethz.date.deposited
2017-10-06T01:54:37Z
ethz.source
FORM
ethz.source
WOS
ethz.eth
yes
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2017-12-11T11:46:17Z
ethz.rosetta.lastUpdated
2024-02-02T03:28:32Z
ethz.rosetta.versionExported
true
dc.identifier.olduri
http://hdl.handle.net/20.500.11850/219413
dc.identifier.olduri
http://hdl.handle.net/20.500.11850/190266
ethz.COinS
ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.atitle=Molecular%20Dynamics%20Fingerprints%20(MDFP):%20Machine%20Learning%20from%20MD%20Data%20To%20Predict%20Free-Energy%20Differences&rft.jtitle=Journal%20of%20Chemical%20Information%20and%20Modeling&rft.date=2017-04-24&rft.volume=57&rft.issue=4&rft.spage=726&rft.epage=741&rft.issn=1549-9596&0095-2338&1520-5142&rft.au=Riniker,%20Sereina&rft.genre=article&rft_id=info:doi/10.1021/acs.jcim.6b00778&
Files in this item
| Files | Size | Format | Open in viewer |
|---|---|---|---|
|
There are no files associated with this item. |
|||
Publication type
-
Journal Article [131679]