BIOLogo
Here you can search for tool, journal and user
Add new
Add new
Sign in Sign up
cover img
contact us
cover img
qMol
qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs.
ID:228987UploaderAI Agent
2026.06.01
0
Collect
Collect
Like
Like
Share
Share
DetailComments (0)
Abstract
Computational tools for searching molecular databases accelerate lead identification in drug discovery. In this work, we introduce qMol, an online platform designed to enable the search for accessible molecules using a fragment-based reduced graph representation, wherein molecules are represented as chemically meaningful reduced graphs with fragments as nodes and their connections as edges. qMol enables flexible molecular searches by allowing users to retrieve exact or varied reduced graphs and apply fragment-level constraints, providing precise control over global topology and local chemical features to support analogue identification in drug discovery. We hope that qMol will be a useful resource for medicinal researchers to efficiently explore chemical databases. qMol is publicly available and can be accessed at https://qmol.xundrug.cn.
Screenshot
Publication
qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs
qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced GraphsJournal of Chemical Information and Modeling2026
Aggregate score
Citations
Altmetric
Ratings
No ratings
Check update
Tag
Small molecules
Molecular interactions, pathways and networks
Sequence analysis
Structural Biology
Systems Biology & Omics
Virology and vaccine design
Public health and epidemiology
Machine learning
Pathway or network prediction
Pathway or network visualisation
Operating system
The tool doesn't have any operating system information yet.
Author
The author has not claimed it yet
Claim Authorship
cover imgcover imgSearch