Virtual Screening toolbox for MATLAB
The VS toolbox for MATLAB is a collection of MATLAB modules for performing virtual screening with two different approaches (MADS and weighting scheme).
 Conditions and warranty
The toolbox is freeware and may be used (but not modified) if proper reference is given to the authors. Preferably refer to the followign paper:

R. Todeschini, D. Ballabio, V. Consonni, F. Grisoni (2018) Mapping of Activity through Dichotomic Scores (MADS): a new chemoinformatic approach to detect activity-rich structural regions.; Journal of Chemometrics, 32, e2994.

In short, no guarantees, whatsoever, are given for the quality of this toolbox or for the consequences of its use. It is inevitable that there will be some bugs, but we have tried to test the algorithms thoroughly.


You can freely download the MATLAB modules:

download Virtual Screening toolbox