{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,11]],"date-time":"2025-12-11T18:58:06Z","timestamp":1765479486007,"version":"3.48.0"},"reference-count":50,"publisher":"Institute of Electrical and Electronics Engineers (IEEE)","issue":"6","license":[{"start":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T00:00:00Z","timestamp":1761955200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/ieeexplore.ieee.org\/Xplorehelp\/downloads\/license-information\/IEEE.html"},{"start":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T00:00:00Z","timestamp":1761955200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T00:00:00Z","timestamp":1761955200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["U22A2041"],"award-info":[{"award-number":["U22A2041"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["62272309"],"award-info":[{"award-number":["62272309"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["62472202"],"award-info":[{"award-number":["62472202"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IEEE Trans. Comput. Biol. Bioinform."],"published-print":{"date-parts":[[2025,11]]},"DOI":"10.1109\/tcbbio.2025.3608965","type":"journal-article","created":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T17:30:47Z","timestamp":1757611847000},"page":"3029-3040","source":"Crossref","is-referenced-by-count":0,"title":["MGRFN: Integrating Multiple Molecular Graph Representations for Molecular Property Prediction"],"prefix":"10.1109","volume":"22","author":[{"given":"Pengcheng","family":"Shu","sequence":"first","affiliation":[{"name":"School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8319-9793","authenticated-orcid":false,"given":"Qichang","family":"Zhao","sequence":"additional","affiliation":[{"name":"School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-7091-4525","authenticated-orcid":false,"given":"Jie","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1516-0480","authenticated-orcid":false,"given":"Jianxin","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"}]}],"member":"263","reference":[{"key":"ref1","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab430"},{"key":"ref2","doi-asserted-by":"publisher","DOI":"10.1063\/5.0018384"},{"key":"ref3","doi-asserted-by":"publisher","DOI":"10.1109\/ICCE-Asia57006.2022.9954877"},{"key":"ref4","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2018.00074"},{"key":"ref5","doi-asserted-by":"publisher","DOI":"10.1109\/ACCESS.2024.3430149"},{"key":"ref6","doi-asserted-by":"publisher","DOI":"10.1007\/s11704-024-31063-0"},{"key":"ref7","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2024.04.030"},{"key":"ref8","doi-asserted-by":"publisher","DOI":"10.1093\/nsr\/nwaf028"},{"key":"ref9","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaf319"},{"key":"ref10","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkae254"},{"key":"ref11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00327"},{"key":"ref12","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2022.103373"},{"key":"ref13","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btab715"},{"key":"ref14","doi-asserted-by":"publisher","DOI":"10.24963\/ijcai.2023\/744"},{"key":"ref15","first-page":"6790","article-title":"GemNet: Universal directional graph neural networks for molecules","volume-title":"Proc. 35th Int. Conf. Neural Inf. Process. Syst.","author":"Klicpera"},{"key":"ref16","doi-asserted-by":"publisher","DOI":"10.1021\/ci00057a005"},{"key":"ref17","doi-asserted-by":"publisher","DOI":"10.1021\/ci100050t"},{"key":"ref18","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-00423-w"},{"key":"ref19","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-025-61745-7"},{"key":"ref20","doi-asserted-by":"publisher","DOI":"10.1609\/aaai.v36i7.20725"},{"key":"ref21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b00959"},{"key":"ref22","doi-asserted-by":"publisher","DOI":"10.1038\/s42004-023-00825-5"},{"key":"ref23","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-023-05243-w"},{"article-title":"Learning 3D representations of molecular chirality with invariance to bond rotations","volume-title":"Proc. Int. Conf. Learn. Representations","author":"Adams","key":"ref24"},{"key":"ref25","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201900458"},{"key":"ref26","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbab078"},{"key":"ref27","first-page":"992","article-title":"SchNet: A continuous-filter convolutional neural network for modeling quantum interactions","volume-title":"Proc. Int. Conf. Neural Inf. Process. Syst.","author":"Schtt"},{"key":"ref28","first-page":"1","article-title":"Directional message passing for molecular graphs","volume-title":"Proc. Int. Conf. Learn. Representations","author":"Klicpera"},{"article-title":"Spherical message passing for 3D molecular graphs","volume-title":"Proc. Int. Conf. Learn. Representations","author":"Liu","key":"ref29"},{"key":"ref30","first-page":"20479","article-title":"3D infomax improves GNNs for molecular property prediction","volume-title":"Proc. Int. Conf. Mach. Learn.","author":"Strk"},{"article-title":"Fast quantum property prediction via deeper 2D and 3D graph networks","year":"2021","author":"Liu","key":"ref31"},{"key":"ref32","doi-asserted-by":"publisher","DOI":"10.1038\/s42256-021-00438-4"},{"key":"ref33","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac560"},{"key":"ref34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c01420"},{"key":"ref35","doi-asserted-by":"publisher","DOI":"10.1109\/TPAMI.2020.3005434"},{"issue":"20","key":"ref36","first-page":"10","article-title":"Graph attention networks","volume":"1050","author":"Velickovic","year":"2017","journal-title":"Statistics"},{"key":"ref37","doi-asserted-by":"publisher","DOI":"10.1038\/sdata.2014.22"},{"key":"ref38","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19093-1"},{"key":"ref39","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201700798"},{"issue":"6","key":"ref40","article-title":"BANDRP: A bilinear attention network for anti-cancer drug response prediction based on fingerprint and multi-omics","volume":"25","author":"Cao","year":"2024","journal-title":"Brief. Bioinf."},{"key":"ref41","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"ref42","article-title":"RDKit: A software suite for cheminformatics, computational chemistry, and predictive modeling","volume":"8","author":"Landrum","year":"2013","journal-title":"Greg Landrum"},{"article-title":"ForceNet: A graph neural network for large-scale quantum calculations","year":"2021","author":"Hu","key":"ref43"},{"key":"ref44","first-page":"3800","article-title":"Improving the gating mechanism of recurrent neural networks","volume-title":"Proc. Int. Conf. Mach. Learn.","author":"Gu"},{"key":"ref45","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2023.107340"},{"key":"ref46","doi-asserted-by":"publisher","DOI":"10.1109\/CVPR.2016.90"},{"key":"ref47","doi-asserted-by":"publisher","DOI":"10.59566\/IJBS.2006.2085"},{"key":"ref48","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv951"},{"key":"ref49","first-page":"128798","article-title":"ET-Flow: Equivariant flow-matching for molecular conformer generation","volume-title":"Proc. Int. Conf. Neural Inf. Process. Syst.","author":"Hassan"},{"key":"ref50","doi-asserted-by":"publisher","DOI":"10.21105\/joss.00861"}],"container-title":["IEEE Transactions on Computational Biology and Bioinformatics"],"original-title":[],"link":[{"URL":"http:\/\/xplorestaging.ieee.org\/ielx8\/10723156\/11296745\/11159258.pdf?arnumber=11159258","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,12,11]],"date-time":"2025-12-11T18:45:00Z","timestamp":1765478700000},"score":1,"resource":{"primary":{"URL":"https:\/\/ieeexplore.ieee.org\/document\/11159258\/"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11]]},"references-count":50,"journal-issue":{"issue":"6"},"URL":"https:\/\/doi.org\/10.1109\/tcbbio.2025.3608965","relation":{},"ISSN":["2998-4165"],"issn-type":[{"type":"electronic","value":"2998-4165"}],"subject":[],"published":{"date-parts":[[2025,11]]}}}