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AutoShim 1.0

License: Free ‎File size: N/A
‎Users Rating: 4.0/5 - ‎1 ‎votes

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.

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