Insubria QSAR PaDEL-Descriptor model for prediction of Endocrine Disruptors Chemicals (EDC) Estrogen Receptor (ER)-binding affinity

نویسنده

  • Stefano Cassani
چکیده

Insubria QSAR PaDEL-Descriptor model for prediction of Endocrine Disruptors Chemicals (EDC) Estrogen Receptor (ER)-binding affinity. 1.2.Other related models: J.Li and P.Gramatica. The importance of molecular structures, endpoints’ values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders, Mol. Divers. 14, 2010, pp 687-696. [8] 1.3.Software coding the model: [1]PaDEL-Descriptor 2.18 A software to calculate molecular descriptors and fingerprints http://padel.nus.edu.sg/software/padeldescriptor/index.html [2]QSARINS 1.2 Software for the development, analysis and validation of QSAR MLR models [email protected] www.qsar.it

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تاریخ انتشار 2014