Chemical Biology Atlas

Launch App Logo

Application

Name
Chemical Biology Atlas
Type
Custom App
URL
https://chembioatlas.serve.scilifelab.se
Source Code
https://github.com/REMEDI4ALL/chemical_annotator
Image
neo4jlabs/neodash:2.4.10
Created
19 Jun, 2025
Updated
31 Jul, 2025
Tags
annotation, cbcs, cheminformatics, dashboard, graph, neo4j, remedi4all, repurposing

The Chemical Biology Atlas (https://doi.org/10.1101/2025.07.23.666341) is an interactive online platform designed to facilitate the exploration of biological activities, mechanisms of action, and molecular targets associated with chemical compounds. Built on a Neo4j graph database, the Atlas enables intuitive navigation of complex relationships between molecules and biological entities. The current release is based on a harmonized library of 5,230 molecules from the Specs repurposing set, in collaboration with the Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Karolinska Institute (KI). The database is built around publicly available annotations collected using the Chemical Annotator pipeline (https://github.com/REMEDI4ALL/chemical_annotator), ensuring comprehensive and standardized data integration. The Chemical Biology Atlas offers several search capabilities, network analysis, and dynamic visualization, allowing scientists to explore interactions, mechanisms, and repurposing opportunities in chemical biology.

Software

Type
Cloud Application
Operating System
Kubernetes
Version
ghcr.io/scilifelabdatacentre/serve-charts/custom-app:1.1.3

Resource

CPU Request
100m
CPU Limit
2000m
Memory Request
1Gi
Memory Limit
4Gi
Storage Request
100Mi
Storage Limit
5000Mi

Project

Name
Chemical Biology Atlas
Created
08 Apr, 2025

The Chemical Biology Atlas is an interactive online platform designed to facilitate the exploration of biological activities, mechanisms of action, and molecular targets associated with chemical compounds. Built on a Neo4j graph database, the Atlas enables intuitive navigation of complex relationships between molecules and biological entities. The current release is based on a harmonized library of 5,230 molecules from the Specs repurposing set, in collaboration with the Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Karolinska Institute (KI). The database is built around publicly available annotations collected using the Chemical Annotator pipeline (https://github.com/REMEDI4ALL/chemical_annotator), ensuring comprehensive and standardized data integration. The Chemical Biology Atlas offers several search capabilities, network analysis, and dynamic visualization, allowing scientists to explore interactions, mechanisms, and repurposing opportunities in chemical biology. More details can be found on our pre-print (https://doi.org/10.1101/2025.07.23.666341).

Owner
Flavio Ballante
flavio.ballante@ki.se
Department of Medical Biochemistry and Biophysics
Karolinska Institutet (Karolinska Institute)