{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T11:44:15Z","timestamp":1788263055433,"version":"build-2803163510"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"2","license":[{"start":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T00:00:00Z","timestamp":1736121600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T00:00:00Z","timestamp":1736121600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T00:00:00Z","timestamp":1736121600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100020959","name":"JST-Mirai Program","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100020959","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001700","name":"Ministry of Education, Culture, Sports, Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001700","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003382","name":"Core Research for Evolutional Science and Technology","doi-asserted-by":"publisher","award":["JPMJCR22L2"],"award-info":[{"award-number":["JPMJCR22L2"]}],"id":[{"id":"10.13039\/501100003382","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["19H02713"],"award-info":[{"award-number":["19H02713"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["21K20530"],"award-info":[{"award-number":["21K20530"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["22K21346"],"award-info":[{"award-number":["22K21346"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["23H04904"],"award-info":[{"award-number":["23H04904"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["23H05404"],"award-info":[{"award-number":["23H05404"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["23K13744"],"award-info":[{"award-number":["23K13744"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Org. Chem."],"published-print":{"date-parts":[[2025,1,17]]},"DOI":"10.1021\/acs.joc.4c02347","type":"journal-article","created":{"date-parts":[[2025,1,7]],"date-time":"2025-01-07T02:35:24Z","timestamp":1736217324000},"page":"1054-1060","source":"Crossref","is-referenced-by-count":5,"title":["Database Construction for the Virtual Screening of the Ruthenium-Catalyzed Hydrogenation of Ketones"],"prefix":"10.1021","volume":"90","author":[{"given":"Haruno","family":"Nakajima","sequence":"first","affiliation":[{"name":"Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chihaya","family":"Murata","sequence":"additional","affiliation":[{"name":"Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Naoki","family":"Noto","sequence":"additional","affiliation":[{"name":"Integrated Research Consortium on Chemical Sciences (IRCCS), Nagoya University, Nagoya 464-8602, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0749-2020","authenticated-orcid":true,"given":"Susumu","family":"Saito","sequence":"additional","affiliation":[{"name":"Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"},{"name":"Integrated Research Consortium on Chemical Sciences (IRCCS), Nagoya University, Nagoya 464-8602, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,1,6]]},"reference":[{"key":"ref1\/cit1a","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-019-0124-0"},{"key":"ref1\/cit1b","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.9b04186"},{"key":"ref1\/cit1c","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201909987"},{"key":"ref1\/cit1d","doi-asserted-by":"publisher","DOI":"10.1039\/C9CS00786E"},{"key":"ref1\/cit1e","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-021-00260-x"},{"key":"ref1\/cit1f","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1604"},{"key":"ref2\/cit2a","doi-asserted-by":"publisher","DOI":"10.1126\/science.aar5169"},{"key":"ref2\/cit2b","doi-asserted-by":"publisher","DOI":"10.1126\/science.aau5631"},{"key":"ref2\/cit2c","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1916392117"},{"key":"ref2\/cit2d","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c00531"},{"key":"ref2\/cit2e","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202106880"},{"key":"ref2\/cit2f","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202219107"},{"key":"ref2\/cit2g","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202313638"},{"key":"ref2\/cit2h","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c04986"},{"key":"ref2\/cit2i","doi-asserted-by":"publisher","DOI":"10.1039\/D3YA00520H"},{"key":"ref3\/cit3a","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c12005"},{"key":"ref3\/cit3b","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c05302"},{"key":"ref3\/cit3c","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202204647"},{"key":"ref4\/cit4a","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms9140"},{"key":"ref4\/cit4b","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-01645-z"},{"key":"ref4\/cit4c","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-03436-y"},{"key":"ref4\/cit4d","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abc0274"},{"key":"ref4\/cit4e","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.201901298"},{"key":"ref4\/cit4f","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.20210023"},{"key":"ref4\/cit4g","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c04392"},{"key":"ref4\/cit4h","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.3c02412"},{"key":"ref5\/cit5a","doi-asserted-by":"crossref","unstructured":"aWeissermel, K.; Arpe, H.J. Industrial Organic Chemistry, 5th ed. Wiley-VCH, 2003; pp 59\u2013320.","DOI":"10.1002\/9783527619191"},{"key":"ref5\/cit5b","doi-asserted-by":"publisher","DOI":"10.3390\/biom3040741"},{"key":"ref5\/cit5c","doi-asserted-by":"publisher","DOI":"10.1002\/bbb.1468"},{"key":"ref6\/cit6a","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.200390000"},{"key":"ref6\/cit6b","doi-asserted-by":"publisher","DOI":"10.1016\/j.tetlet.2014.04.129"},{"key":"ref6\/cit6c","doi-asserted-by":"publisher","DOI":"10.1021\/cr400609m"},{"key":"ref6\/cit6d","doi-asserted-by":"publisher","DOI":"10.1039\/C5CS00038F"},{"key":"ref6\/cit6e","doi-asserted-by":"publisher","DOI":"10.1039\/C3CY00564J"},{"key":"ref6\/cit6f","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00723"},{"key":"ref6\/cit6g","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.2c00550"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00029J"},{"key":"ref8\/cit8a","doi-asserted-by":"publisher","DOI":"10.1021\/jo01094a004"},{"key":"ref8\/cit8b","doi-asserted-by":"publisher","DOI":"10.1021\/ja00415a022"},{"key":"ref8\/cit8c","doi-asserted-by":"publisher","DOI":"10.1021\/ja00253a051"},{"key":"ref8\/cit8d","doi-asserted-by":"publisher","DOI":"10.1021\/ja0010599"},{"key":"ref8\/cit8e","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.200404274"},{"key":"ref8\/cit8f","doi-asserted-by":"publisher","DOI":"10.1021\/ol070289q"},{"key":"ref8\/cit8g","doi-asserted-by":"publisher","DOI":"10.1039\/b816524f"},{"key":"ref8\/cit8h","doi-asserted-by":"publisher","DOI":"10.1021\/om101152m"},{"key":"ref8\/cit8i","doi-asserted-by":"publisher","DOI":"10.1016\/j.tetlet.2011.03.057"},{"key":"ref9\/cit9","unstructured":"Lundberg, S. M.; Lee, S.I. A Unified Approach to Interpreting Model Predictions. In  Proceedings of the 31st International Conference on Neural Information Processing Systems 2017, 4768\u20134777."},{"key":"ref10\/cit10","unstructured":"Iron, bis(eta5\u20132,4-cyclopentadien-1-yl)-\n| C10H10Fe. https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/Iron_-bis_eta5-2_4-cyclopentadien-1-yl (accessed 2024\u201308\u201325)."},{"key":"ref14\/cit14a","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0258-y"},{"key":"ref14\/cit14b","unstructured":"b Descriptor\nList \u2013 mordred 1.2.1a1 documentation. https:\/\/mordred-descriptor.github.io\/documentation\/master\/descriptors.html (accessed 2024\u201308\u201325)."},{"key":"ref15\/cit15","unstructured":"rdkit-orig\/rdkit\/Chem\/MACCSkeys.py\nat master. https:\/\/github.com\/rdkit\/rdkit-orig\/blob\/master\/rdkit\/Chem\/MACCSkeys.py (accessed 2024\u201311\u201317)."}],"container-title":["The Journal of Organic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.joc.4c02347","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.joc.4c02347","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,17]],"date-time":"2025-01-17T09:11:43Z","timestamp":1737105103000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.joc.4c02347"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,6]]},"references-count":51,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2025,1,17]]}},"alternative-id":["10.1021\/acs.joc.4c02347"],"URL":"https:\/\/doi.org\/10.1021\/acs.joc.4c02347","relation":{},"ISSN":["0022-3263","1520-6904"],"issn-type":[{"value":"0022-3263","type":"print"},{"value":"1520-6904","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,6]]}}}