scholarly journals Development of A File Conversion Program for Chemical Structure Data: MOLCONV. Traensplantation of the MOLCONV program from PC-9801 for IBM personal computer.

1998 ◽  
Vol 4 (3) ◽  
pp. 119-126
Author(s):  
Ken-ichi HAYAMI
Keyword(s):  
Personal Computer ◽  
Structure Data ◽  
Chemical Structure

scholarly journals Splitting chemical structure data sets for federated privacy-preserving machine learning

2021 ◽  
Author(s):  
Jaak Simm ◽  
Lina Humbeck ◽  
Adam Zalewski ◽  
Noe Sturm ◽  
Wouter Heyndrickx ◽  
...  
Keyword(s):  
Machine Learning ◽  
Structure Data ◽  
Chemical Structure ◽  
Privacy Preserving ◽  
Data Sets

A high-performance and flexible chemical structure & data search engine built on CouchDB & ElasticSearch

2018 ◽  
Vol 31 (3) ◽  
pp. 341-349 ◽  
Author(s):  
Ren-zhi Li ◽  
Bo-jie Li ◽  
Guo-zhen Zhang ◽  
Jun Jiang ◽  
Yi Luo
Keyword(s):  
Search Engine ◽  
Structure Data ◽  
High Performance ◽  
Chemical Structure ◽  
Data Search

Multidimensional pulse image processing of chemical structure data

2000 ◽  
Vol 51 (1) ◽  
pp. 115-124 ◽  
Author(s):  
Jason M Kinser ◽  
Karina Waldemark ◽  
Thomas Lindblad ◽  
Sven P Jacobsson
Keyword(s):  
Image Processing ◽  
Structure Data ◽  
Chemical Structure

scholarly journals Enzyme annotation in UniProtKB using Rhea

2019 ◽  
Author(s):  
Anne Morgat ◽  
Thierry Lombardot ◽  
Elisabeth Coudert ◽  
Kristian Axelsen ◽  
Teresa Batista Neto ◽  
...  
Keyword(s):  
Structure Data ◽  
Chemical Structure ◽  
Enzymatic Reactions ◽  
Biochemical Reactions ◽  
High Quality ◽  
Sparql Endpoint ◽  
Link Type ◽  
Biological Interest ◽  
Rest Api

AbstractMotivationTo provide high quality computationally tractable enzyme annotation in UniProtKB using Rhea, a comprehensive expert-curated knowledgebase of biochemical reactions which describes reaction participants using the ontology ChEBI (Chemical Entities of Biological Interest).ResultsWe replaced existing textual descriptions of biochemical reactions in UniProtKB with their equivalents from Rhea, which is now the standard for annotation of enzymatic reactions in UniProtKB. We developed improved search and query facilities for the UniProt website, REST API, and SPARQL endpoint that leverage the chemical structure data, nomenclature, and classification that Rhea and ChEBI provide.Availability and ImplementationUniProtKB at https://www.uniprot.org/; UniProt REST API at https://www.uniprot.org/help/api; UniProt SPARQL endpoint at https://sparql.uniprot.org/sparql; Rhea at https://www.rhea-db.org/[email protected]

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