{"title":"Linear and neural network models for predicting N-glycosylation in Chinese Hamster Ovary cells based on B4GALT levels","authors":"Pedro Seber, Richard D. Braatz","doi":"10.1016/j.compchemeng.2024.108937","DOIUrl":null,"url":null,"abstract":"<div><div>Glycosylation is an essential modification to proteins that has positive effects, such as improving the half-life of antibodies, and negative effects, such as promoting cancers. Despite the importance of glycosylation, data-driven models to predict quantitative N-glycan distributions have been lacking. This article constructs linear and neural network models to predict the distribution of glycans on N-glycosylation sites. The models are trained on data containing normalized B4GALT1–B4GALT4 levels in Chinese Hamster Ovary cells. The ANN models achieve a median prediction error of 1.59% on an independent test set, an error 9-fold smaller than for previously published models using the same data, and a narrow error distribution. We also discuss issues with other models in the literature and the advantages of this work’s model over other data-driven models. We openly provide all of the software used, allowing other researchers to reproduce the work and reuse or improve the code in future endeavors.</div></div>","PeriodicalId":286,"journal":{"name":"Computers & Chemical Engineering","volume":"194 ","pages":"Article 108937"},"PeriodicalIF":3.9000,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers & Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0098135424003557","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
引用次数: 0
Abstract
Glycosylation is an essential modification to proteins that has positive effects, such as improving the half-life of antibodies, and negative effects, such as promoting cancers. Despite the importance of glycosylation, data-driven models to predict quantitative N-glycan distributions have been lacking. This article constructs linear and neural network models to predict the distribution of glycans on N-glycosylation sites. The models are trained on data containing normalized B4GALT1–B4GALT4 levels in Chinese Hamster Ovary cells. The ANN models achieve a median prediction error of 1.59% on an independent test set, an error 9-fold smaller than for previously published models using the same data, and a narrow error distribution. We also discuss issues with other models in the literature and the advantages of this work’s model over other data-driven models. We openly provide all of the software used, allowing other researchers to reproduce the work and reuse or improve the code in future endeavors.
期刊介绍:
Computers & Chemical Engineering is primarily a journal of record for new developments in the application of computing and systems technology to chemical engineering problems.