autoshim

We have hosted the application autoshim in order to run this application in our online workstations with Wine or directly.

Quick description about autoshim:

Tools to build molecular-docking activity prediction models by PLS regression with iterative training and pose-selection. Descriptors include (i) docking score(s), (ii) pharmacophore features, (iii) multi-feature descriptors learned by decision trees.

Audience: Science/Research, Education, Advanced End Users, Developers.
User interface: Command-line.
Programming Language: Unix Shell, C, S/R.
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