FRCD: A comprehensive food risk component database with molecular scaffold, chemical diversity, toxicity, and biodegradability analysis
Artikel i vetenskaplig tidskrift, 2020

The presence of natural toxins, pesticide residues, and illegal additives in food products has been associated with a range of potential health hazards. However, no systematic database exists that comprehensively includes and integrates all research information on these compounds, and valuable information remains scattered across numerous databases and extensive literature reports. Thus, using natural language processing technology, we curated 12,018 food risk components from 152,737 literature reports, 12 authoritative databases, and numerous related regulatory documents. Data on molecular structures, physicochemical properties, chemical taxonomy, absorption, distribution, metabolism, excretion, toxicity properties, and physiological targets within the human body were integrated to afford the comprehensive food risk component database (FRCD, http://www.rxnfinder.org/frcd/). We also analyzed the molecular scaffold and chemical diversity, in addition to evaluating the toxicity and biodegradability of the food risk components. The FRCD could be considered a highly promising tool for future food safety studies.

Chemical diversity

Bioinformatics

Cheminformatics

Food toxin

Scaffold analysis

Författare

Dachuan Zhang

Chinese Academy of Sciences

Linlin Gong

Chinese Academy of Sciences

Shaozhen Ding

Chinese Academy of Sciences

Ye Tian

Chinese Academy of Sciences

Cancan Jia

Chinese Academy of Sciences

Dongliang Liu

Chinese Academy of Sciences

Mengying Han

Chinese Academy of Sciences

Xingxiang Cheng

Chinese Academy of Sciences

Dandan Sun

Chinese Academy of Sciences

Pengli Cai

Chinese Academy of Sciences

Yu Tian

Wuhan University of Technology

Le Yuan

Chalmers, Biologi och bioteknik, Systembiologi

Weizhong Tu

Wuhan LifeSynther Science and Technology Co. Limited

Junni Chen

Wuhan LifeSynther Science and Technology Co. Limited

Aibo Wu

Chinese Academy of Sciences

Qian Nan Hu

Chinese Academy of Sciences

Food Chemistry

0308-8146 (ISSN)

Vol. 318 126470

Ämneskategorier

Produktionsteknik, arbetsvetenskap och ergonomi

Livsmedelsvetenskap

Miljövetenskap

DOI

10.1016/j.foodchem.2020.126470

Mer information

Senast uppdaterat

2020-03-16