CPIExtract: A software package to collect and harmonize small molecule and protein interactions.

The binding interactions between small molecules and proteins are the basis of cellular functions. Yet, experimental data available regarding compound-protein interaction is not harmonized into a single entity but rather scattered across multiple institutions, each maintaining databases with different formats. Extracting information from these multiple sources remains challenging due to data heterogeneity. Here, we present CPIExtract (Compound-Protein Interaction Extract), a tool to interactively extract experimental binding interaction data from multiple databases, perform filtering, and harmonize the resulting information, thus providing a gain of compound-protein interaction data. When compared to a single source, DrugBank, we show that it can collect more than 10 times the amount of annotations. The end-user can apply custom filtering to the aggregated output data and save it in any generic tabular file suitable for further downstream tasks such as network medicine analyses for drug repurposing and cross-validation of deep learning models.

GroceryDB: Prevalence of Processed Food in Grocery Stores.

The offering of grocery stores is a strong driver of consumer decisions, shaping their diet and long-term health. While highly processed food like packaged products, processed meat, and sweetened soft drinks have been increasingly associated with unhealthy diet, information on the degree of processing characterizing an item in a store is not straightforward to obtain, limiting the ability of individuals to make informed choices. Here we introduce GroceryDB, a database with over 50,000 food items sold by Walmart, Target, and Wholefoods, unveiling how big data can be harnessed to empower consumers and policymakers with systematic access to the degree of processing of the foods they select, and the potential alternatives in the surrounding food environment. The wealth of data collected on ingredient lists and nutrition facts allows a large scale analysis of ingredient patterns and degree of processing stratified by store, food category, and price range. We find that the nutritional choices of the consumers, translated as the degree of food processing, strongly depend on the food categories and grocery stores. Moreover, the data allows us to quantify the individual contribution of over 1,000 ingredients to ultra-processing. GroceryDB and the associated http://TrueFood.Tech/ website make this information accessible, guiding consumers toward less processed food choices while assisting policymakers in reforming the food supply.

CafeteriaSA corpus: scientific abstracts annotated across different food semantic resources.

In the last decades, a great amount of work has been done in predictive modeling of issues related to human and environmental health. Resolution of issues related to healthcare is made possible by the existence of several biomedical vocabularies and standards, which play a crucial role in understanding the health information, together with a large amount of health-related data. However, despite a large number of available resources and work done in the health and environmental domains, there is a lack of semantic resources that can be utilized in the food and nutrition domain, as well as their interconnections. For this purpose, in a European Food Safety Authority-funded project CAFETERIA, we have developed the first annotated corpus of 500 scientific abstracts that consists of 6407 annotated food entities with regard to Hansard taxonomy, 4299 for FoodOn and 3623 for SNOMED-CT. The CafeteriaSA corpus will enable the further development of natural language processing methods for food information extraction from textual data that will allow extracting food information from scientific textual data. Database URL: https://zenodo.org/record/6683798#.Y49wIezMJJF.

CafeteriaFCD Corpus: Food Consumption Data Annotated with Regard to Different Food Semantic Resources.

Besides the numerous studies in the last decade involving food and nutrition data, this domain remains low resourced. Annotated corpuses are very useful tools for researchers and experts of the domain in question, as well as for data scientists for analysis. In this paper, we present the annotation process of food consumption data (recipes) with semantic tags from different semantic resources-Hansard taxonomy, FoodOn ontology, SNOMED CT terminology and the FoodEx2 classification system. FoodBase is an annotated corpus of food entities-recipes-which includes a curated version of 1000 instances, considered a gold standard. In this study, we use the curated version of FoodBase and two different approaches for annotating-the NCBO annotator (for the FoodOn and SNOMED CT annotations) and the semi-automatic StandFood method (for the FoodEx2 annotations). The end result is a new version of the golden standard of the FoodBase corpus, called the CafeteriaFCD (Cafeteria Food Consumption Data) corpus. This corpus contains food consumption data-recipes-annotated with semantic tags from the aforementioned four different external semantic resources. With these annotations, data interoperability is achieved between five semantic resources from different domains. This resource can be further utilized for developing and training different information extraction pipelines using state-of-the-art NLP approaches for tracing knowledge about food safety applications.

Evaluating missing value imputation methods for food composition databases.

Missing data are a common problem in most research fields and introduce an element of ambiguity into data analysis. They can arise due to different reasons: mishandling of samples, measurement error, deleted aberrant value or simply lack of analysis. The nutrition domain is no exception to the problem of missing data. This paper addresses the problem of missing data in food composition databases (FCDBs). Missing data in FCDBs results in incomplete FCDBs, which have limited usage, because any dietary assessment can be performed only on a complete dataset. Most often, this problem is resolved by calculating means/medians from excising data in the same database or borrowing data from other FCDBs. These solutions introduce significant error. We focus on missing data imputation techniques based on methods for substituting missing values with statistical prediction: Non-Negative Matrix Factorization (NMF), Multiple Imputations by Chained Equations (MICE), Nonparametric Missing Value Imputation using Random Forest (MissForest), and K-Nearest Neighbors (KNN), and compared them with commonly used approaches - fill-in with mean, fill-in with median. The data used was from national FCDBs collected by EuroFIR (European Food Information Resource Network). The results show that the state-of-the-art methods for imputation yield better results than the traditional approaches.

ISO-FOOD ontology: A formal representation of the knowledge within the domain of isotopes for food science.

To link and harmonize different knowledge repositories with respect to isotopic data, we propose an ISO-FOOD ontology as a domain ontology for describing isotopic data within Food Science. The ISO-FOOD ontology consists of metadata and provenance data that needs to be stored together with data elements in order to describe isotopic measurements with all necessary information required for future analysis. The new domain has been linked with existing ontologies, such as Units of Measurements Ontology, Food, Nutrient and the Bibliographic Ontology. To show how such an ontology can be used in practise, it was populated with 20 isotopic measurements of Slovenian food samples. Describing data in this way offers a powerful technique for organizing and sharing stable isotope data across Food Science.