{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,15]],"date-time":"2026-01-15T13:00:30Z","timestamp":1768482030070,"version":"3.49.0"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"2","license":[{"start":{"date-parts":[[2025,1,7]],"date-time":"2025-01-07T00:00:00Z","timestamp":1736208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,7]],"date-time":"2025-01-07T00:00:00Z","timestamp":1736208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,7]],"date-time":"2025-01-07T00:00:00Z","timestamp":1736208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100000855","name":"University of Birmingham","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000855","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,1,27]]},"DOI":"10.1021\/acs.jcim.4c01607","type":"journal-article","created":{"date-parts":[[2025,1,8]],"date-time":"2025-01-08T04:39:46Z","timestamp":1736311186000},"page":"580-588","source":"Crossref","is-referenced-by-count":1,"title":["Meta-Learning Enables Complex Cluster-Specific Few-Shot Binding Affinity Prediction for Protein\u2013Protein Interactions"],"prefix":"10.1021","volume":"65","author":[{"given":"Yang","family":"Yue","sequence":"first","affiliation":[{"name":"School of Computer Science, The University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K."}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yihua","family":"Cheng","sequence":"additional","affiliation":[{"name":"School of Computer Science, The University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K."}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"C\u00e9line","family":"Marquet","sequence":"additional","affiliation":[{"name":"Department of Informatics, Bioinformatics and Computational Biology - i12, TUM-Technical University of Munich, Boltzmannstr. 3, Garching 85748, Munich, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chenguang","family":"Xiao","sequence":"additional","affiliation":[{"name":"School of Computer Science, The University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K."}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4632-4364","authenticated-orcid":true,"given":"Jingjing","family":"Guo","sequence":"additional","affiliation":[{"name":"Centre of Artificial Intelligence Driven Drug Discovery, Faculty of Applied Science, Macao Polytechnic University, Macao SAR 999078, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4434-6172","authenticated-orcid":true,"given":"Shu","family":"Li","sequence":"additional","affiliation":[{"name":"Centre of Artificial Intelligence Driven Drug Discovery, Faculty of Applied Science, Macao Polytechnic University, Macao SAR 999078, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shan","family":"He","sequence":"additional","affiliation":[{"name":"School of Computer Science, The University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K."}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,1,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.3c04889"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-53583-w"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biochem.77.062906.171838"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-023-04866-3"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1109\/TPAMI.2021.3095381"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1126\/science.ade2574"},{"key":"ref7\/cit7","unstructured":"Zhang, Z.; Xu, M.; Jamasb, A. R. In  Protein Representation Learning by Geometric Structure Pretraining, Eleventh International Conference on Learning Representations."},{"key":"ref8\/cit8","unstructured":"Finn, C.; Abbeel, P.; Levine, S. In  Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks, International conference on machine learning, PMLR, 2017; pp 1126\u20131135."},{"key":"ref9\/cit9","unstructured":"Lee, E.; Yoo, J.; Lee, H. Machine Learning for Drug Discovery. In  MetaDTA: Meta-Learning-Based Drug-Target Binding Affinity Prediction; ICLR, 2022."},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-43597-1"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c00485"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1109\/TNNLS.2023.3250324"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-49798-6"},{"key":"ref14\/cit14","unstructured":"Gao, Z.; Sun, X.; Liu, Z. In  Protein Multimer Structure Prediction via Prompt Learning, Twelfth International Conference on Learning Representations, 2024."},{"key":"ref15\/cit15","unstructured":"Antoniou, A.; Edwards, H.; Storkey, A. In  How to Train Your MAML, International Conference on Learning Representations, 2018."},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/prot.25260"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/S0952-7915(01)00298-9"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC06946B"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty635"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.6b00491"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/pr9009854"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki387"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbad310"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00255"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1109\/3477.764879"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ct700324x"},{"key":"ref27\/cit27","unstructured":"Kipf, T. N.; Welling, M. Semi-supervised classification with graph convolutional networks. 2016, arXiv:1609.02907. arXiv.org e-Printarchive. https:\/\/arxiv.org\/abs\/1609.02907."},{"key":"ref28\/cit28","unstructured":"Zhang, Z.; Xu, M.; Lozano, A. C. In  Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction, Advances in Neural Information Processing Systems, 2024; p 36."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","unstructured":"Zheng, H.; Yang, Z.; Liu, W. In  Improving Deep Neural Networks Using Softplus Units, International Joint Conference on Neural Networks (IJCNN); IEEE, 2015; pp 1\u20134.","DOI":"10.1109\/IJCNN.2015.7280459"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab1061"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24667"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.16006"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki524"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","unstructured":"van Kempen, M.; Kim, S. S.; Tumescheit, C. Foldseek: fast and accurate protein structure search Biorxiv 2022. 2022.02. 07.479398.","DOI":"10.1101\/2022.02.07.479398"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01607","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01607","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,27]],"date-time":"2025-01-27T09:15:22Z","timestamp":1737969322000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c01607"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,7]]},"references-count":34,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2025,1,27]]}},"alternative-id":["10.1021\/acs.jcim.4c01607"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c01607","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,7]]}}}