RED: A Set of Molecular Descriptors Based on Re'nyi Entropy
@article{DelgadoSoler2009REDAS,
title={RED: A Set of Molecular Descriptors Based on Re'nyi Entropy},
author={Laura Delgado-Soler and Ra{\'u}l Toral and M. Santos Tom{\'a}s and Jaime Rubio-Mart{\'i}nez},
journal={Journal of chemical information and modeling},
year={2009},
volume={49 11},
pages={
2457-68
}
}New molecular descriptors, RED (Renyi entropy descriptors), based on the generalized entropies introduced by Renyi are presented. Topological descriptors based on molecular features have proven to be useful for describing molecular profiles. Renyi entropy is used as a variability measure to contract a feature-pair distribution composing the descriptor vector. The performance of RED descriptors was tested for the analysis of different sets of molecular distances, virtual screening, and…
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