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Prediction of PKCθ Inhibitory Activity Using the Random Forest Algorithm
This work is devoted to the prediction of a series of 208 structurally diverse PKCθ inhibitors using the Random Forest (RF) based on the Mold(2) molecular descriptors. The RF model was established and identified as a robust predictor of the experimental pIC(50) values, producing good external R(2)(p...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2956104/ https://www.ncbi.nlm.nih.gov/pubmed/20957104 http://dx.doi.org/10.3390/ijms11093413 |