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On the Physical Interpretation of QSAR Models

✍ Scribed by Stanton, D.T.


Book ID
121242895
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
387 KB
Volume
43
Category
Article
ISSN
0095-2338

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Interpretation of QSAR Models Based on R
✍ Victor E. Kuz'min; Pavel G. Polishchuk; Anatoly G. Artemenko; Sergey A. Andronat πŸ“‚ Article πŸ“… 2011 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 267 KB

## Abstract A new algorithm for the interpretation of Random Forest models has been developed. It allows to calculate the contribution of each descriptor to the calculated property value. In case of the simplex representation of a molecular structure, contributions of individual atoms can be calcul