Catalaix Knowledge Graph

This repository contains the demo for the Catalaix knowledge graph (KG):

1. the reactions including the substrates, products, and literature references describing the reactions
2. the reactions hierarchy which connects reactions with different levels of abstraction
3. a chemical ontology, including hierarchical categorization of molecules by structure and role (based on ChEBI) such as plasticizers and dyes
4. the conditions including experimental information like the catalyst/microbe, byproducts, conditions and provenance information like the group that ran the reactions and literature references where the conditions were used
5. the labs within the consortium and their members
6. literature published by labs in the consortium and important to members of the consortium, and an induced citation network

This repository constructs bibliographic knowledge graph of articles and citations (added in #6). The following is an example subgraph from the citation graph.

flowchart LR
	28524364["Biofunctional Microgel-Based Fertilizers for Controlled Foliar Delivery of Nutrients to Plants.
Pich, Schwaneberg (2017)"]
	26802344["Mechanism-specific and whole-organism ecotoxicity of mono-rhamnolipids.
Blank (2016)"]
	33195133["Genetic Cell-Surface Modification for Optimized Foam Fractionation.
Blank (2020)"]
	34492827["The Green toxicology approach: Insight towards the eco-toxicologically safe development of benign catalysts.
Herres-Pawlis (2021)"]
	34865895["A plea for the integration of Green Toxicology in sustainable bioeconomy strategies - Biosurfactants and microgel-based pesticide release systems as examples.
Pich, Blank, Schwaneberg (2022)"]
	30758389["Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.
Pich, Herres-Pawlis (2019)"]
	28779508["Highly Active N,O Zinc Guanidine Catalysts for the Ring-Opening Polymerization of Lactide.
Herres-Pawlis (2017)"]
	30811863["New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts.
Pich, Herres-Pawlis (2019)"]
	32974309["Integration of Genetic and Process Engineering for Optimized Rhamnolipid Production Using 
Jupke, Blank (2020)"]
	32449840["Robust Guanidine Metal Catalysts for the Ring-Opening Polymerization of Lactide under Industrially Relevant Conditions.
Herres-Pawlis (2020)"]
	34492827 --> 30811863
	34492827 --> 30758389
	34492827 --> 28779508
	34492827 --> 32449840
	34865895 --> 26802344
	34865895 --> 32974309
	34865895 --> 28524364
	34865895 --> 34492827
	32974309 --> 33195133

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