Advanced QSRR Modeling of Organic Pollutants in Natural Water and Wastewater in Gas Chromatography Time-of-Flight Mass Spectrometry
1. Advanced QSRR Modeling of Organic Pollutants in Natural Water and Wastewater in Gas Chromatography Time-of-Flight Mass Spectrometry

Mehrdad Shahpar; Sharmin Esmaeilpoor

Volume 2, Issue 1. pp. 1-82 , Winter 2018, , Pages 1-22

http://dx.doi.org/10.22631/chemm.2017.100307.1012

Abstract
  Water pollution is a major global problem which requires ongoing evaluation and revision of water resource policy at all levels (international down to individual aquifers and wells. ...  Read More
Approach to Chemometrics Models by Artificial Neural Network for Structure: First Applications for Estimation Retention Time of Doping Agent
2. Approach to Chemometrics Models by Artificial Neural Network for Structure: First Applications for Estimation Retention Time of Doping Agent

Mehrdad Shahpar; Sharmin Esmaeilpoor

Volume 1, Issue 2. pp. 87-193 , September and October 2017, , Pages 98-120

http://dx.doi.org/10.22631/chemm.2017.96397.1008

Abstract
  A quantitative structure–retention relationship (QSRR), was developed by using the genetic algorithm-partial least square (GA-PLS), Kernel partial least square (GA-KPLS) and Levenberg-Marquardt ...  Read More