Tutorial
Check the video for a description on how to use the ChemoDOTS server
The video is showing the BRD inhibitor fragment (F2) used to establish the proof of concept of DOTS (Hoffer et al 2018)
Step by Step Tutorial for Using the Web Server
Here is a PDF File outlining the different features of the web server
Poster presenting an overview of the ChemoDOTS approach
Click on the image to access the poster
References
- Hartenfeller, M., Eberle, M., Meier, P., Nieto-Oberhuber, C., Altmann, K. H., Schneider, G., Jacoby, E., and Renner, S. (2011) A collection of robust organic synthesis reactions for in silico molecule design, J Chem Inf Model. 51, 3093-3098.
- Hoffer, L., Voitovich, Y. V., Raux, B., Carrasco, K., Muller, C., Fedorov, A. Y., Derviaux, C., Amouric, A., Betzi, S., Horvath, D., Varnek, A., Collette, Y., Combes, S., Roche, P., and Morelli, X. (2018) Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach, J Med Chem 61, 5719-5732.
