{"title":"UmamiPreDL:使用 BERT 和 CNN 预测多肽鲜味的深度学习模型。","authors":"Arun Pandiyan Indiran , Humaira Fatima , Sampriti Chattopadhyay , Sureshkumar Ramadoss , Yashwanth Radhakrishnan","doi":"10.1016/j.compbiolchem.2024.108116","DOIUrl":null,"url":null,"abstract":"<div><p>Taste is crucial in driving food choice and preference. Umami is one of the basic tastes defined by characteristic deliciousness and mouthfulness that it imparts to foods. Identification of ingredients to enhance umami taste is of significant value to food industry. Various models have been shown to predict umami taste using feature encodings derived from traditional molecular descriptors such as amphiphilic pseudo-amino acid composition, dipeptide composition, and composition-transition-distribution. Highest reported accuracy of 90.5 % was recently achieved through novel model architecture. Here, we propose use of biological sequence transformers such as ProtBert and ESM2, trained on the Uniref databases, as the feature encoders block. With combination of 2 encoders and 2 classifiers, 4 model architectures were developed. Among the 4 models, ProtBert-CNN model outperformed other models with accuracy of 95 % on 5-fold cross validation data and 94 % on independent data.</p></div>","PeriodicalId":10616,"journal":{"name":"Computational Biology and Chemistry","volume":null,"pages":null},"PeriodicalIF":2.6000,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"UmamiPreDL: Deep learning model for umami taste prediction of peptides using BERT and CNN\",\"authors\":\"Arun Pandiyan Indiran , Humaira Fatima , Sampriti Chattopadhyay , Sureshkumar Ramadoss , Yashwanth Radhakrishnan\",\"doi\":\"10.1016/j.compbiolchem.2024.108116\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Taste is crucial in driving food choice and preference. Umami is one of the basic tastes defined by characteristic deliciousness and mouthfulness that it imparts to foods. Identification of ingredients to enhance umami taste is of significant value to food industry. Various models have been shown to predict umami taste using feature encodings derived from traditional molecular descriptors such as amphiphilic pseudo-amino acid composition, dipeptide composition, and composition-transition-distribution. Highest reported accuracy of 90.5 % was recently achieved through novel model architecture. Here, we propose use of biological sequence transformers such as ProtBert and ESM2, trained on the Uniref databases, as the feature encoders block. With combination of 2 encoders and 2 classifiers, 4 model architectures were developed. Among the 4 models, ProtBert-CNN model outperformed other models with accuracy of 95 % on 5-fold cross validation data and 94 % on independent data.</p></div>\",\"PeriodicalId\":10616,\"journal\":{\"name\":\"Computational Biology and Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2024-05-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Biology and Chemistry\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S147692712400104X\",\"RegionNum\":4,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Biology and Chemistry","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S147692712400104X","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOLOGY","Score":null,"Total":0}
UmamiPreDL: Deep learning model for umami taste prediction of peptides using BERT and CNN
Taste is crucial in driving food choice and preference. Umami is one of the basic tastes defined by characteristic deliciousness and mouthfulness that it imparts to foods. Identification of ingredients to enhance umami taste is of significant value to food industry. Various models have been shown to predict umami taste using feature encodings derived from traditional molecular descriptors such as amphiphilic pseudo-amino acid composition, dipeptide composition, and composition-transition-distribution. Highest reported accuracy of 90.5 % was recently achieved through novel model architecture. Here, we propose use of biological sequence transformers such as ProtBert and ESM2, trained on the Uniref databases, as the feature encoders block. With combination of 2 encoders and 2 classifiers, 4 model architectures were developed. Among the 4 models, ProtBert-CNN model outperformed other models with accuracy of 95 % on 5-fold cross validation data and 94 % on independent data.
期刊介绍:
Computational Biology and Chemistry publishes original research papers and review articles in all areas of computational life sciences. High quality research contributions with a major computational component in the areas of nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins are particularly welcome. Exceptionally high quality research work in bioinformatics, systems biology, ecology, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics will also be considered.
Given their inherent uncertainty, protein modeling and molecular docking studies should be thoroughly validated. In the absence of experimental results for validation, the use of molecular dynamics simulations along with detailed free energy calculations, for example, should be used as complementary techniques to support the major conclusions. Submissions of premature modeling exercises without additional biological insights will not be considered.
Review articles will generally be commissioned by the editors and should not be submitted to the journal without explicit invitation. However prospective authors are welcome to send a brief (one to three pages) synopsis, which will be evaluated by the editors.