UmamiPreDL:使用 BERT 和 CNN 预测多肽鲜味的深度学习模型。

IF 2.6 4区 生物学 Q2 BIOLOGY Computational Biology and Chemistry Pub Date : 2024-05-29 DOI:10.1016/j.compbiolchem.2024.108116
Arun Pandiyan Indiran , Humaira Fatima , Sampriti Chattopadhyay , Sureshkumar Ramadoss , Yashwanth Radhakrishnan
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引用次数: 0

摘要

口味对于食物的选择和偏好至关重要。"鲜味 "是基本口味之一,它赋予食物特有的美味和口感。对食品工业来说,确定能增强鲜味的配料具有重要价值。研究表明,各种模型都能利用从两亲假氨基酸组成、二肽组成和组成-过渡-分布等传统分子描述符中提取的特征编码来预测鲜味。最近,通过新颖的模型结构,报告的最高准确率达到了 90.5%。在此,我们建议使用在 Uniref 数据库上训练的生物序列转换器(如 ProtBert 和 ESM2)作为特征编码器模块。结合 2 个编码器和 2 个分类器,我们开发出了 4 种模型架构。在这 4 个模型中,ProtBert-CNN 模型在 5 倍交叉验证数据上的准确率为 95%,在独立数据上的准确率为 94%,表现优于其他模型。
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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.

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来源期刊
Computational Biology and Chemistry
Computational Biology and Chemistry 生物-计算机:跨学科应用
CiteScore
6.10
自引率
3.20%
发文量
142
审稿时长
24 days
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.
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