SUPR
Development of a web service for querying the chemical space
Dnr:

NAISS 2024/7-26

Type:

SSC

Principal Investigator:

Nanjiang Shu

Affiliation:

Stockholms universitet

Start Date:

2024-07-05

End Date:

2025-08-01

Primary Classification:

10203: Bioinformatics (Computational Biology) (applications to be 10610)

Secondary Classification:

10602: Biochemistry and Molecular Biology

Allocation

Abstract

NBIS is developing a web-service for querying the commercially available chemical compound database in collaboration with the CarlssonLab (http://www.carlssonlab.org). The goal is to provide the research community a web service for fast detection of purchasable nearest neighbors of the target molecule by substructure and similarity searching. During the development, we need the cloud resource to set up some development servers to test deploying as well as easy demoing to the stakeholders.