{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,27]],"date-time":"2026-03-27T15:41:49Z","timestamp":1774626109609,"version":"3.50.1"},"reference-count":54,"publisher":"American Chemical Society (ACS)","issue":"16","license":[{"start":{"date-parts":[[2025,8,7]],"date-time":"2025-08-07T00:00:00Z","timestamp":1754524800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/R513180\/1"],"award-info":[{"award-number":["EP\/R513180\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/T517847\/1"],"award-info":[{"award-number":["EP\/T517847\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000287","name":"Royal Academy of Engineering","doi-asserted-by":"publisher","award":["RCSRF1819\\7\\10"],"award-info":[{"award-number":["RCSRF1819\\7\\10"]}],"id":[{"id":"10.13039\/501100000287","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-AC02-06CH11357"],"award-info":[{"award-number":["DE-AC02-06CH11357"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000271","name":"Science and Technology Facilities Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000271","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,8,25]]},"DOI":"10.1021\/acs.jcim.5c00840","type":"journal-article","created":{"date-parts":[[2025,8,7]],"date-time":"2025-08-07T18:55:11Z","timestamp":1754592911000},"page":"8579-8592","source":"Crossref","is-referenced-by-count":3,"title":["Autogenerating a Domain-Specific Question-Answering Data Set from a Thermoelectric Materials Database to Enable High-Performing BERT Models"],"prefix":"10.1021","volume":"65","author":[{"given":"Odysseas","family":"Sierepeklis","sequence":"first","affiliation":[{"name":"Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, U.K."}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1552-8743","authenticated-orcid":true,"given":"Jacqueline M.","family":"Cole","sequence":"additional","affiliation":[{"name":"Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, U.K."},{"name":"Science and Technology Facilities Council, Rutherford Appleton Laboratory","place":["Didcot, U.K."]},{"name":"Harwell Science and Innovation Campus","place":["Didcot, U.K."]}]}],"member":"316","published-online":{"date-parts":[[2025,8,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btz682"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1903.10676"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-022-00784-w"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00035"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c01259"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c00063"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1905.05529"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-45914-8"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00202K"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-45563-x"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00113J"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1606.05250"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00188A"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/D4DD00307A"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.3390\/en15051823"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1806.03822"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1810.04805"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-022-01752-1"},{"key":"ref19\/cit19","first-page":"102","volume-title":"Proceedings Of The Demonstrations At The 13th Conference Of The European Chapter Of The Association For Computational Linguistics","author":"Stenetorp P.","year":"2012"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbz130"},{"key":"ref21\/cit21","unstructured":"odysie\/BERT_QA_from_TEmat_database, 2024. https:\/\/github.com\/odysie\/BERT_QA_from_TEmat_database\/tree\/master\/BRAT_annotations."},{"key":"ref22\/cit22","unstructured":"odysie\/BERT_QA_from_TEmat_database, 2024. https:\/\/github.com\/odysie\/BERT_QA_from_TEmat_database\/tree\/master\/TE_QA_test_dataset."},{"key":"ref23\/cit23","unstructured":"odysie\/BERT_QA_from_TEmat_database, 2024. https:\/\/github.com\/odysie\/BERT_QA_from_TEmat_database\/tree\/master\/code."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmat.2015.03.008"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00207"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00446"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/D4TC01058B"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/D3DD00131H"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2311.11060"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1162\/neco.1989.1.2.270"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2018.111"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-020-00602-2"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-022-01295-5"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-022-01294-6"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-022-01301-w"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-023-02511-6"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-023-02897-3"},{"key":"ref38\/cit38","unstructured":"odysie\/BERT_QA_from_TEmat_database, 2024. https:\/\/github.com\/odysie\/BERT_QA_from_TEmat_database\/tree\/master\/TE_QA_train-dev_datasets."},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1910.03771"},{"key":"ref40\/cit40","unstructured":"Biewald, L. Experiment Tracking With Weights And Biases; 2020. https:\/\/www.wandb.com\/"},{"key":"ref41\/cit41","unstructured":"From resources of the Argonne Leadership Computing Facility,\nwhich\nis a DOE Office of Science User Facility supported under Contract\nDE-AC02\u201306CH11357."},{"key":"ref42\/cit42","first-page":"1","volume-title":"SC20: International Conference For High Performance Computing, Networking, Storage And Analysis","author":"Rajbhandari S.","year":"2020"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1710.03740"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.2478\/pralin-2018-0002"},{"key":"ref45\/cit45","unstructured":"CambridgeMolecularEngineering\/bert_finetuned_qa, 2024. https:\/\/huggingface.co\/CambridgeMolecularEngineering\/bert_finetuned_qa."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"76","DOI":"10.18653\/v1\/D19-6109","volume-title":"Proceedings Of The 2nd Workshop On Deep Learning Approaches For low-Resource NLP (deeplo 2019)","author":"Ma X.","year":"2019"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1801.06146"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1801.06146"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.pnsc.2018.05.002"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.patter.2022.100488"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1902.10186"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"2931","DOI":"10.18653\/v1\/P19-1282","volume-title":"Proceedings of the 57th Annual Meeting of the Association for Computational Linguistics","author":"Serrano S.","year":"2019"},{"key":"ref53\/cit53","first-page":"3319","volume-title":"ICML\u201917: Proceedings of the 34th International Conference on Machine Learning","author":"Sundararajan M.","year":"2017"},{"key":"ref54\/cit54","first-page":"13693","volume-title":"Proceedings of the AAAI Conference on Artificial Intelligence","author":"Strubell E.","year":"2020"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00840","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00840","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,8,25]],"date-time":"2025-08-25T08:11:25Z","timestamp":1756109485000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00840"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,8,7]]},"references-count":54,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2025,8,25]]}},"alternative-id":["10.1021\/acs.jcim.5c00840"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00840","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,8,7]]}}}