Jingfu Wang, Jiaying Chen, Yue Hu, Chaolin Song, Xinhui Li, Yurong Qian, Lei Deng
{"title":"DeepMFFGO: A Protein Function Prediction Method for Large-Scale Multifeature Fusion.","authors":"Jingfu Wang, Jiaying Chen, Yue Hu, Chaolin Song, Xinhui Li, Yurong Qian, Lei Deng","doi":"10.1021/acs.jcim.5c00062","DOIUrl":null,"url":null,"abstract":"<p><p>Protein functional studies are crucial in the fields of drug target discovery and drug design. However, the existing methods have significant bottlenecks in utilizing multisource data fusion and Gene Ontology (GO) hierarchy. To this end, this study innovatively proposes the DeepMFFGO model designed for protein function prediction under large-scale multifeature fusion. A fine-tuning strategy using intermediate-level feature selection is proposed to reduce redundancy in protein sequences and mitigate distortion of the top-level features. A hierarchical progressive fusion structure is designed to explore feature connections, optimize complementarity through dynamic weight allocation, and reduce redundant interference. On the CAFA3 data set, the <i>F</i><sub>max</sub> values of the DeepMFFGO model on the MF, BP, and CC ontologies reach 0.702, 0.599, and 0.704, respectively, which are improved by 4.2%, 2.4%, and 0.07%, respectively, compared with state-of-the-art multisource methods.</p>","PeriodicalId":44,"journal":{"name":"Journal of Chemical Information and Modeling ","volume":" ","pages":""},"PeriodicalIF":5.6000,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Information and Modeling ","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.jcim.5c00062","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
引用次数: 0
Abstract
Protein functional studies are crucial in the fields of drug target discovery and drug design. However, the existing methods have significant bottlenecks in utilizing multisource data fusion and Gene Ontology (GO) hierarchy. To this end, this study innovatively proposes the DeepMFFGO model designed for protein function prediction under large-scale multifeature fusion. A fine-tuning strategy using intermediate-level feature selection is proposed to reduce redundancy in protein sequences and mitigate distortion of the top-level features. A hierarchical progressive fusion structure is designed to explore feature connections, optimize complementarity through dynamic weight allocation, and reduce redundant interference. On the CAFA3 data set, the Fmax values of the DeepMFFGO model on the MF, BP, and CC ontologies reach 0.702, 0.599, and 0.704, respectively, which are improved by 4.2%, 2.4%, and 0.07%, respectively, compared with state-of-the-art multisource methods.
期刊介绍:
The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery.
Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field.
As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.