ChemHub: a knowledgebase of functional chemicals for synthetic biology studies.

Han, Mengying; Zhang, Dachuan; Ding, Shaozhen; Tian, Yu; Cheng, Xingxiang; Yuan, Le; Sun, Dandan; Liu, Dongliang et al. · Bioinformatics · 2021

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Abstract

The field of synthetic biology lacks a comprehensive knowledgebase for selecting synthetic target molecules according to their functions, economic applications and known biosynthetic pathways. We implemented ChemHub, a knowledgebase containing >90 000 chemicals and their functions, along with related biosynthesis information for these chemicals that was manually extracted from >600 000 published studies by more than 100 people over the past 10 years. Multiple algorithms were implemented to enable biosynthetic pathway design and precursor discovery, which can support investigation of the biosynthetic potential of these functional chemicals. ChemHub is freely available at: http://www.rxnfinder.org/chemhub/. Supplementary data are available at Bioinformatics online.

Medical subject headings