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The signature molecular descriptor
Journal of Molecular Graphics and Modelling, 2004Carla J Churchwell +8 more
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Multivariate Analysis of Molecular Descriptors
2012Till date several thousands of molecular descriptors have been proposed in the scientific literature and most of them are easily calculated from molecular structures with the aid of a number of dedicated computational tools. Then, a description of molecules by a lot of numerical indices currently is a task that can be easily accomplished, but afterward
CONSONNI, VIVIANA, TODESCHINI, ROBERTO
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Reactivity Descriptors for the Activity of Molecular MN4 Catalysts for the Oxygen Reduction Reaction
Angewandte Chemie - International Edition, 2016Marc Koper, José Zagal
exaly
Multiple Regression Analysis with Optimal Molecular Descriptors
SAR and QSAR in Environmental Research, 2000Milan Randic
exaly
An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors
QSAR and Combinatorial Science, 2005Ester Papa, Paola Gramática
exaly
Automatic selection of molecular descriptors using random forest: Application to drug discovery
Expert Systems With Applications, 2017Horacio Pérez-Sánchez +2 more
exaly