Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back
This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow
Gespeichert in:
| Hauptverfasser: | , , , , , , , , , , , , , , , , , |
|---|---|
| Format: | Dataset |
| Sprache: | eng |
| Online-Zugang: | Volltext bestellen |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | |
| container_start_page | |
| container_title | |
| container_volume | |
| creator | Koscher, Brent Canty, Richard McDonald, Matthew Greenman, Kevin McGill, Charles Bilodeau, Camille Jin, Wengong Wu, Haoyang Vermeire, Florence Jin, Brooke Hart, Travis Kulesza, Timothy Li, Shih-Chen Jaakkola, Tommi Barzilay, Regina Gomez-Bombarelli, Rafael Green, William Jensen, Klavs |
| description | This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow |
| doi_str_mv | 10.5281/zenodo.10037800 |
| format | Dataset |
| fullrecord | <record><control><sourceid>datacite_PQ8</sourceid><recordid>TN_cdi_datacite_primary_10_5281_zenodo_10037800</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_5281_zenodo_10037800</sourcerecordid><originalsourceid>FETCH-datacite_primary_10_5281_zenodo_100378003</originalsourceid><addsrcrecordid>eNqVzjEKwjAUgOEsDqLOru8Atk0tYnETUTyAe4jJKwSbvPKSFOrpRdQDOP3TD58Q61qWu21bV08MZKmspWz2rZRzoY45USBPOW7A5z65gWlATlNh2Y0YwFOPJveawbpoaESeDtAxeRgYrTPJUYiQCDzqmBk9hhRBBwt3bR5LMet0H3H17UJUl_PtdC2sTtq4hGpg5zVPqpbqTVQfovoRm_-PFzaFTlo</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>dataset</recordtype></control><display><type>dataset</type><title>Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back</title><source>DataCite</source><creator>Koscher, Brent ; Canty, Richard ; McDonald, Matthew ; Greenman, Kevin ; McGill, Charles ; Bilodeau, Camille ; Jin, Wengong ; Wu, Haoyang ; Vermeire, Florence ; Jin, Brooke ; Hart, Travis ; Kulesza, Timothy ; Li, Shih-Chen ; Jaakkola, Tommi ; Barzilay, Regina ; Gomez-Bombarelli, Rafael ; Green, William ; Jensen, Klavs</creator><creatorcontrib>Koscher, Brent ; Canty, Richard ; McDonald, Matthew ; Greenman, Kevin ; McGill, Charles ; Bilodeau, Camille ; Jin, Wengong ; Wu, Haoyang ; Vermeire, Florence ; Jin, Brooke ; Hart, Travis ; Kulesza, Timothy ; Li, Shih-Chen ; Jaakkola, Tommi ; Barzilay, Regina ; Gomez-Bombarelli, Rafael ; Green, William ; Jensen, Klavs</creatorcontrib><description>This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow</description><identifier>DOI: 10.5281/zenodo.10037800</identifier><language>eng</language><publisher>Zenodo</publisher><creationdate>2023</creationdate><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-2347-2743 ; 0000-0001-8233-0852 ; 0000-0003-2704-7717 ; 0000-0002-6466-1401 ; 0000-0002-8358-5280 ; 0000-0002-9495-8599 ; 0000-0001-7192-580X ; 0000-0002-9444-3253 ; 0000-0003-2603-9694</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>778,1890</link.rule.ids><linktorsrc>$$Uhttps://commons.datacite.org/doi.org/10.5281/zenodo.10037800$$EView_record_in_DataCite.org$$FView_record_in_$$GDataCite.org$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Koscher, Brent</creatorcontrib><creatorcontrib>Canty, Richard</creatorcontrib><creatorcontrib>McDonald, Matthew</creatorcontrib><creatorcontrib>Greenman, Kevin</creatorcontrib><creatorcontrib>McGill, Charles</creatorcontrib><creatorcontrib>Bilodeau, Camille</creatorcontrib><creatorcontrib>Jin, Wengong</creatorcontrib><creatorcontrib>Wu, Haoyang</creatorcontrib><creatorcontrib>Vermeire, Florence</creatorcontrib><creatorcontrib>Jin, Brooke</creatorcontrib><creatorcontrib>Hart, Travis</creatorcontrib><creatorcontrib>Kulesza, Timothy</creatorcontrib><creatorcontrib>Li, Shih-Chen</creatorcontrib><creatorcontrib>Jaakkola, Tommi</creatorcontrib><creatorcontrib>Barzilay, Regina</creatorcontrib><creatorcontrib>Gomez-Bombarelli, Rafael</creatorcontrib><creatorcontrib>Green, William</creatorcontrib><creatorcontrib>Jensen, Klavs</creatorcontrib><title>Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back</title><description>This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow</description><fulltext>true</fulltext><rsrctype>dataset</rsrctype><creationdate>2023</creationdate><recordtype>dataset</recordtype><sourceid>PQ8</sourceid><recordid>eNqVzjEKwjAUgOEsDqLOru8Atk0tYnETUTyAe4jJKwSbvPKSFOrpRdQDOP3TD58Q61qWu21bV08MZKmspWz2rZRzoY45USBPOW7A5z65gWlATlNh2Y0YwFOPJveawbpoaESeDtAxeRgYrTPJUYiQCDzqmBk9hhRBBwt3bR5LMet0H3H17UJUl_PtdC2sTtq4hGpg5zVPqpbqTVQfovoRm_-PFzaFTlo</recordid><startdate>20231222</startdate><enddate>20231222</enddate><creator>Koscher, Brent</creator><creator>Canty, Richard</creator><creator>McDonald, Matthew</creator><creator>Greenman, Kevin</creator><creator>McGill, Charles</creator><creator>Bilodeau, Camille</creator><creator>Jin, Wengong</creator><creator>Wu, Haoyang</creator><creator>Vermeire, Florence</creator><creator>Jin, Brooke</creator><creator>Hart, Travis</creator><creator>Kulesza, Timothy</creator><creator>Li, Shih-Chen</creator><creator>Jaakkola, Tommi</creator><creator>Barzilay, Regina</creator><creator>Gomez-Bombarelli, Rafael</creator><creator>Green, William</creator><creator>Jensen, Klavs</creator><general>Zenodo</general><scope>DYCCY</scope><scope>PQ8</scope><orcidid>https://orcid.org/0000-0002-2347-2743</orcidid><orcidid>https://orcid.org/0000-0001-8233-0852</orcidid><orcidid>https://orcid.org/0000-0003-2704-7717</orcidid><orcidid>https://orcid.org/0000-0002-6466-1401</orcidid><orcidid>https://orcid.org/0000-0002-8358-5280</orcidid><orcidid>https://orcid.org/0000-0002-9495-8599</orcidid><orcidid>https://orcid.org/0000-0001-7192-580X</orcidid><orcidid>https://orcid.org/0000-0002-9444-3253</orcidid><orcidid>https://orcid.org/0000-0003-2603-9694</orcidid></search><sort><creationdate>20231222</creationdate><title>Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back</title><author>Koscher, Brent ; Canty, Richard ; McDonald, Matthew ; Greenman, Kevin ; McGill, Charles ; Bilodeau, Camille ; Jin, Wengong ; Wu, Haoyang ; Vermeire, Florence ; Jin, Brooke ; Hart, Travis ; Kulesza, Timothy ; Li, Shih-Chen ; Jaakkola, Tommi ; Barzilay, Regina ; Gomez-Bombarelli, Rafael ; Green, William ; Jensen, Klavs</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-datacite_primary_10_5281_zenodo_100378003</frbrgroupid><rsrctype>datasets</rsrctype><prefilter>datasets</prefilter><language>eng</language><creationdate>2023</creationdate><toplevel>online_resources</toplevel><creatorcontrib>Koscher, Brent</creatorcontrib><creatorcontrib>Canty, Richard</creatorcontrib><creatorcontrib>McDonald, Matthew</creatorcontrib><creatorcontrib>Greenman, Kevin</creatorcontrib><creatorcontrib>McGill, Charles</creatorcontrib><creatorcontrib>Bilodeau, Camille</creatorcontrib><creatorcontrib>Jin, Wengong</creatorcontrib><creatorcontrib>Wu, Haoyang</creatorcontrib><creatorcontrib>Vermeire, Florence</creatorcontrib><creatorcontrib>Jin, Brooke</creatorcontrib><creatorcontrib>Hart, Travis</creatorcontrib><creatorcontrib>Kulesza, Timothy</creatorcontrib><creatorcontrib>Li, Shih-Chen</creatorcontrib><creatorcontrib>Jaakkola, Tommi</creatorcontrib><creatorcontrib>Barzilay, Regina</creatorcontrib><creatorcontrib>Gomez-Bombarelli, Rafael</creatorcontrib><creatorcontrib>Green, William</creatorcontrib><creatorcontrib>Jensen, Klavs</creatorcontrib><collection>DataCite (Open Access)</collection><collection>DataCite</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Koscher, Brent</au><au>Canty, Richard</au><au>McDonald, Matthew</au><au>Greenman, Kevin</au><au>McGill, Charles</au><au>Bilodeau, Camille</au><au>Jin, Wengong</au><au>Wu, Haoyang</au><au>Vermeire, Florence</au><au>Jin, Brooke</au><au>Hart, Travis</au><au>Kulesza, Timothy</au><au>Li, Shih-Chen</au><au>Jaakkola, Tommi</au><au>Barzilay, Regina</au><au>Gomez-Bombarelli, Rafael</au><au>Green, William</au><au>Jensen, Klavs</au><format>book</format><genre>unknown</genre><ristype>DATA</ristype><title>Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back</title><date>2023-12-22</date><risdate>2023</risdate><abstract>This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow</abstract><pub>Zenodo</pub><doi>10.5281/zenodo.10037800</doi><orcidid>https://orcid.org/0000-0002-2347-2743</orcidid><orcidid>https://orcid.org/0000-0001-8233-0852</orcidid><orcidid>https://orcid.org/0000-0003-2704-7717</orcidid><orcidid>https://orcid.org/0000-0002-6466-1401</orcidid><orcidid>https://orcid.org/0000-0002-8358-5280</orcidid><orcidid>https://orcid.org/0000-0002-9495-8599</orcidid><orcidid>https://orcid.org/0000-0001-7192-580X</orcidid><orcidid>https://orcid.org/0000-0002-9444-3253</orcidid><orcidid>https://orcid.org/0000-0003-2603-9694</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext_linktorsrc |
| identifier | DOI: 10.5281/zenodo.10037800 |
| ispartof | |
| issn | |
| language | eng |
| recordid | cdi_datacite_primary_10_5281_zenodo_10037800 |
| source | DataCite |
| title | Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-16T23%3A20%3A41IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-datacite_PQ8&rft_val_fmt=info:ofi/fmt:kev:mtx:book&rft.genre=unknown&rft.au=Koscher,%20Brent&rft.date=2023-12-22&rft_id=info:doi/10.5281/zenodo.10037800&rft_dat=%3Cdatacite_PQ8%3E10_5281_zenodo_10037800%3C/datacite_PQ8%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true |