WS: Water solubility prediction from OPERA (OPEn saR App) models

نویسندگان

  • Kamel Mansouri
  • Chris M. Grulke
  • Ann M. Richard
چکیده

WS: Water solubility prediction from OPERA (OPEn saR App) models. 1.2.Other related models: No related models 1.3.Software coding the model: OPERA V1.02 OPERA (OPEn (quantitative) structure-activity Relationship Application) is a standalone free and open source command line application. It provides a suite of QSAR models to predict physicochemical properties and environmental fate of organic chemicals based on PaDEL descriptors. It is available for download in Matlab, C and C++ languages from github under MIT license. Kamel Mansouri ([email protected]; [email protected]); https://github.com/kmansouri/OPERA.git

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تاریخ انتشار 2016