General Information

Welcome to ChemBioServer 2.0!

This server hosts a group of tools and web services developed to provide advanced filtering, clustering and networking of chemical compounds facilitating both drug discovery and repurposing.

This Server provides the following services:
• Uploading and Browsing Compounds in 2D and 3D.
• Filtering of compounds based on physicochemical properties.
• Substructure filtering of compounds based on custom sdf files.
• Van der Waals filtering using distance and energy tests.
• Toxicity filtering using specific organic toxic roots.
• Cross-Docking molecules.
• Hierarchical clustering with 4 different distances.
• Affinity Propagation clustering, providing exemplars for each cluster.
• Structural Similarity Network Visualization and Analysis.
• Visualization of compounds' properties.

Please cite the program as:
ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery. Athanasiadis E., Cournia Z., Spyrou G. Bioinformatics. 2012 Nov 15;28(22):3002-3. Epub 2012 Sep 8.