{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,23]],"date-time":"2025-12-23T10:26:39Z","timestamp":1766485599721,"version":"3.43.0"},"reference-count":59,"publisher":"American Chemical Society (ACS)","issue":"15","license":[{"start":{"date-parts":[[2025,7,28]],"date-time":"2025-07-28T00:00:00Z","timestamp":1753660800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,7,28]],"date-time":"2025-07-28T00:00:00Z","timestamp":1753660800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,7,28]],"date-time":"2025-07-28T00:00:00Z","timestamp":1753660800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21903057"],"award-info":[{"award-number":["21903057"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,8,11]]},"DOI":"10.1021\/acs.jcim.5c00986","type":"journal-article","created":{"date-parts":[[2025,7,28]],"date-time":"2025-07-28T13:10:33Z","timestamp":1753708233000},"page":"8022-8032","source":"Crossref","is-referenced-by-count":1,"title":["SMILES Token Additivity Model with Interpretability and Generalizability for Fuel Property Predictions"],"prefix":"10.1021","volume":"65","author":[{"given":"Mengxin","family":"Yang","sequence":"first","affiliation":[{"name":"School of Chemical Engineering","place":["Chengdu, China"]},{"name":"Sichuan University","place":["Chengdu, China"]}]},{"given":"Guanlin","family":"Song","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering","place":["Chengdu, China"]},{"name":"Sichuan University","place":["Chengdu, China"]}]},{"given":"Longhui","family":"Cheng","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering","place":["Chengdu, China"]},{"name":"Sichuan University","place":["Chengdu, China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8638-7570","authenticated-orcid":true,"given":"Haisheng","family":"Ren","sequence":"additional","affiliation":[{"name":"School of Chemical Engineering","place":["Chengdu, China"]},{"name":"Sichuan University","place":["Chengdu, China"]},{"name":"Engineering Research Center of Combustion and Cooling for Aerospace Power, Ministry of Education","place":["Chengdu, China"]},{"name":"Sichuan University","place":["Chengdu, China"]}]}],"member":"316","published-online":{"date-parts":[[2025,7,28]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c01330"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00301"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c01602"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.3c03390"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00236"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.4c03474"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00501"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00979"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.3c05318"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/jacsau.2c00235"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00266"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c08563"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1063\/1.1630951"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp502096y"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1063\/1.5024442"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b04771"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.egyai.2021.100054"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.4c03223"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0258-y"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1007\/s10955-019-02412-2"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-016-9938-8"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ci400187y"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00572"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.6b00219"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.7b00064"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ci00062a008"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01127"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","unstructured":"Wang, S.; Guo, Y.; Wang, Y.; Sun, H.; Huang, J. In Smiles-bert: large scale unsupervised pre-training for molecular property prediction,  Proceedings of the 10th ACM international conference on bioinformatics, computational biology and health informatics, 2019; pp 429-436.","DOI":"10.1145\/3307339.3342186"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.3c00129"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1911.04738"},{"key":"ref32\/cit32","unstructured":"Devlin, J.; Chang, M.W.; Lee, K.; Toutanova, K. Bert: Pre-training of deep bidirectional transformers for language understanding,  Proceedings of the 2019 conference of the North American chapter of the association for computational linguistics: human language technologies, volume 1 (long and short papers), 2019; pp 4171-4186."},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1602.06289"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c01896"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5c00167"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00803"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.4c01207"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.2c06702"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c04848"},{"key":"ref40\/cit40","unstructured":"Dai, H.; Dai, B.; Song, L. Discriminative embeddings of latent variable models for structured data,  International conference on machine learning, PMLR: 2016; pp 2702-2711."},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/cr500364t"},{"key":"ref42\/cit42","unstructured":"Vaswani, A.; Shazeer, N.; Parmar, N.; Uszkoreit, J.; Jones, L.; Gomez, A. N.; Kaiser, \u0141.; Polosukhin, I. Attention is all you need.  Advances in neural information processing systems 2017, 30."},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1607.06450"},{"issue":"9","key":"ref44\/cit44","volume-title":"Introduction to algorithms","volume":"42","author":"Cormen T. H.","year":"2022","edition":"3"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1409.1556"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1308.0850"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2014.22"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5c03134"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.1703.07076"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.48550\/arXiv.2202.00089"},{"issue":"1","key":"ref51\/cit51","first-page":"926","volume":"9","author":"Hinton G.","year":"2010","journal-title":"Momentum"},{"key":"ref52\/cit52","unstructured":"Snoek, J.; Larochelle, H.; Adams, R. P. Practical Bayesian Optimization of Machine Learning Algorithms.  Advances in neural information processing systems 2012, 25."},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1613\/jair.1.13974"},{"volume-title":"Machine Learning: A Probabilistic Perspective","year":"2012","author":"Murphy K. P.","key":"ref54\/cit54"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"801","DOI":"10.1007\/978-1-0716-0150-1_32","volume-title":"Ecotoxicological Qsars","author":"Mauri A.","year":"2020"},{"volume-title":"Intermolecular and surface forces","year":"2011","author":"Israelachvili J. N.","key":"ref56\/cit56"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.proci.2022.09.059"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ja8094137"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.fuel.2018.02.138"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00986","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00986","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,8,11]],"date-time":"2025-08-11T08:12:45Z","timestamp":1754899965000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00986"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,28]]},"references-count":59,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2025,8,11]]}},"alternative-id":["10.1021\/acs.jcim.5c00986"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00986","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,7,28]]}}}