Fragmental Approach in QSPR


Methodological problems of using fragmental descriptors for construction of QSAR/QSPR equations are considered, and the main achievements in this field are summarized and discussed. If a structure-property data set is sufficiently large to allow building statistically significant models, then any topological index can be replaced with a set of fragmental… (More)
DOI: 10.1021/ci020010e


7 Figures and Tables

Cite this paper

@article{Zefirov2002FragmentalAI, title={Fragmental Approach in QSPR}, author={Nikolai S. Zefirov and Vladimir A. Palyulin}, journal={Journal of chemical information and computer sciences}, year={2002}, volume={42 5}, pages={1112-22} }