{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,12]],"date-time":"2026-07-12T03:41:33Z","timestamp":1783827693895,"version":"3.55.0"},"reference-count":54,"publisher":"American Chemical Society (ACS)","issue":"6","license":[{"start":{"date-parts":[[2025,3,13]],"date-time":"2025-03-13T00:00:00Z","timestamp":1741824000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,3,13]],"date-time":"2025-03-13T00:00:00Z","timestamp":1741824000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,3,13]],"date-time":"2025-03-13T00:00:00Z","timestamp":1741824000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001459","name":"Ministry of Education - Singapore","doi-asserted-by":"publisher","award":["MOE-T2EP20120-0010"],"award-info":[{"award-number":["MOE-T2EP20120-0010"]}],"id":[{"id":"10.13039\/501100001459","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001459","name":"Ministry of Education - Singapore","doi-asserted-by":"publisher","award":["MOE-T2EP20221-0003"],"award-info":[{"award-number":["MOE-T2EP20221-0003"]}],"id":[{"id":"10.13039\/501100001459","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001459","name":"Ministry of Education - Singapore","doi-asserted-by":"publisher","award":["RG16\/23"],"award-info":[{"award-number":["RG16\/23"]}],"id":[{"id":"10.13039\/501100001459","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["12271183"],"award-info":[{"award-number":["12271183"]}],"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":[[2025,3,24]]},"DOI":"10.1021\/acs.jcim.4c02309","type":"journal-article","created":{"date-parts":[[2025,3,14]],"date-time":"2025-03-14T03:26:38Z","timestamp":1741922798000},"page":"2785-2793","source":"Crossref","is-referenced-by-count":7,"title":["Join Persistent Homology (JPH)-Based Machine Learning for Metalloprotein\u2013Ligand Binding Affinity Prediction"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-4528-2963","authenticated-orcid":true,"given":"Yaxing","family":"Wang","sequence":"first","affiliation":[{"name":"School of Mathematical Sciences","place":["Nankai, China"]},{"name":"Nankai University","place":["Nankai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6046-1405","authenticated-orcid":true,"given":"Xiang","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Mathematics","place":["East Lansing, United States"]},{"name":"Michigan State University","place":["East Lansing, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yipeng","family":"Zhang","sequence":"additional","affiliation":[{"name":"Division of Mathematical Sciences, School of Physical and Mathematical Sciences","place":["Singapore, Singapore"]},{"name":"Nanyang Technological University","place":["Singapore, Singapore"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiangjun","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Mathematical Sciences","place":["Nankai, China"]},{"name":"Nankai University","place":["Nankai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4183-0943","authenticated-orcid":true,"given":"Kelin","family":"Xia","sequence":"additional","affiliation":[{"name":"Division of Mathematical Sciences, School of Physical and Mathematical Sciences","place":["Singapore, Singapore"]},{"name":"Nanyang Technological University","place":["Singapore, Singapore"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,3,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/ar900015x"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","DOI":"10.1007\/978-94-007-5561-1","volume-title":"Metallomics and the Cell: Some Definitions and General Comments","author":"Banci L.","year":"2013"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-021-00339-5"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2017.11.002"},{"key":"ref5\/cit5","volume-title":"Bio-inorganic Chemistry","author":"Hay R. W.","year":"1984"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/nrmicro2057"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2018.05.010"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4020-9783-6","volume-title":"Recent Advances in QSAR Studies\u2500Methods and Applications","author":"Puzyn T.","year":"2010"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1758-2946-3-1","volume":"3","author":"O\u2019Boyle N. M.","year":"2011","journal-title":"J. Cheminf."},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ci00028a014"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ci050457y"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ci200145p"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref14\/cit14","first-page":"199","volume":"9","author":"Glen R. C.","year":"2006","journal-title":"IDrugs"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01415"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/cnm.2532"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.cam.2016.08.019"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"eabc5329","DOI":"10.1126\/sciadv.abc5329","volume":"7","author":"Meng Z.","year":"2021","journal-title":"Sci. Adv."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"bbab136","DOI":"10.1093\/bib\/bbab136","volume":"22","author":"Wee J.","year":"2021","journal-title":"Briefings Bioinf."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"bbaa411","DOI":"10.1093\/bib\/bbaa411","volume":"22","author":"Liu X.","year":"2021","journal-title":"Briefings Bioinf."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1002\/cnm.2719","volume":"31","author":"Xia K.","year":"2015","journal-title":"Int. J. Numer. Methods Biomed. Eng."},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1005929"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP06554G"},{"key":"ref24\/cit24","first-page":"605","volume":"63","author":"Lin Y.","year":"2011","journal-title":"Tohoku Math. J."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"bbab127","DOI":"10.1093\/bib\/bbab127","volume":"22","author":"Liu X.","year":"2021","journal-title":"Briefings Bioinf."},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1009943"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00580"},{"key":"ref28\/cit28","unstructured":"Xiang, L.; Xia, K. In  Persistent Tor-Algebra Based Stacking Ensemble Learning (PTA-SEL) for Protein\u2013Protein Binding Affinity Prediction, ICLR 2022 Workshop on Geometrical and Topological Representation Learning, 2022."},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00558"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1090\/psapm\/070\/587","volume":"70","author":"Zomorodian A.","year":"2012","journal-title":"Adv. Appl. Comput. Topol."},{"key":"ref31\/cit31","volume-title":"Computational Topology: An Introduction","author":"Edelsbrunner H.","year":"2022"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1090\/conm\/453\/08802","volume":"453","author":"Edelsbrunner H.","year":"2008","journal-title":"Contemp. Math."},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1007\/s10208-008-9027-z"},{"key":"ref34\/cit34","volume-title":"Winter Semester 2021\u20132022 at Laboratory for Topology and Neuroscience","author":"Wang X.","year":"2024"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2054","DOI":"10.1039\/D2SC06576B","volume":"14","author":"Jiang D.","year":"2023","journal-title":"Chem. Sci."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","unstructured":"Chuzhoy, J.; Khanna, S. In  A Faster Combinatorial Algorithm for Maximum Bipartite Matching, Proceedings of the 2024 Annual ACM-SIAM Symposium on Discrete Algorithms (SODA), 2024; pp 2185\u20132235.","DOI":"10.1137\/1.9781611977912.79"},{"key":"ref37\/cit37","volume":"36","author":"Gattani A.","year":"2024","journal-title":"Adv. Neural Inf. Process. Syst."},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.apenergy.2023.122245"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","unstructured":"Li, X.; Zhang, M.; Liu, Y.; Ma, S.; Jin, Y.; Ru, L.  In  Search Engine Click Spam Detection Based on Bipartite Graph Propagation, Proceedings of the 7th ACM International Conference on Web Search and Data Mining, 2014; pp 93\u2013102.","DOI":"10.1145\/2556195.2556214"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","unstructured":"Mishra, B. K.; Ringe, S.; Ringe, S.; Gadge, J. In  Semantic Web Services Matchmaking Using Bipartite Graph Matching with Ranking, Proceedings of the International Conference and Workshop on Emerging Trends in Technology, 2010; pp 487\u2013492.","DOI":"10.1145\/1741906.1742015"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/cnm.2914"},{"key":"ref42\/cit42","volume-title":"Foundations of Data Science","author":"Shen L.","year":"2024"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","unstructured":"Su, Z.; Tong, Y.; Wei, G.W. Persistent de Rham-Hodge Laplacians in Eulerian Representation for Manifold Topological Learning. 2024, arXiv:2408.00220. arXiv.org e-Print archive. http:\/\/arxiv.org\/abs\/physics\/2408.00220.","DOI":"10.3934\/math.20241333"},{"key":"ref44\/cit44","unstructured":"Wei, X.; Wei, G.W. Persistent Sheaf Laplacians. 2021, arXiv:2112.10906. arXiv.org e-Print archive. http:\/\/arxiv.org\/abs\/physics\/2112.10906."},{"key":"ref45\/null","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1090\/conm\/453\/08802","volume":"453","author":"Edelsbrunner H.","year":"2008","journal-title":"Contemp. Math."},{"key":"ref46\/cit46","first-page":"3549","volume":"33","author":"Cang Z.","year":"2017","journal-title":"Bioinformatics"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00226"},{"key":"ref48\/cit48","volume-title":"Principles of Bioinorganic Chemistry","author":"Lippard S. J.","year":"1994"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1126\/science.1085049"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.cag.2020.05.029"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00075"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/ci2003889"},{"key":"ref53\/cit53","volume-title":"Algebraic Topology","author":"Spanier E. H.","year":"1989"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2024.108435"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02309","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c02309","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,24]],"date-time":"2025-03-24T19:41:07Z","timestamp":1742845267000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c02309"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3,13]]},"references-count":54,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2025,3,24]]}},"alternative-id":["10.1021\/acs.jcim.4c02309"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c02309","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,3,13]]}}}