QSPR Approach to Predict Nonadditive Properties of Mixtures. Application to Bubble Point Temperatures of Binary Mixtures of Liquids

Existing and Developing Approaches for QSAR Analysis of Mixtures

(2012) Eugene N. Muratov et al.   Molecular Informatics

Prediction of rate constants of S N 2 reactions by the multicomponent QSPR method

(2011) A. A. Kravtsov et al.   DOKLADY CHEMISTRY

Prediction of the preferable mechanism of nucleophilic substitution at saturated carbon atom and prognosis of S N 1 rate constants by means of QSPR

(2011) A. A. Kravtsov et al.   DOKLADY CHEMISTRY

Quantitative Structure–Property Relationship (QSPR) Modeling of Normal Boiling Point Temperature and Composition of Binary Azeotropes

(2011) Vitaly P. Solov’ev et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Application of the QSPR Approach to the Boiling Points of Azeotropes

(2011) Alan R. Katritzky et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Per aspera ad astra: application of Simplex QSAR approach in antiviral research

(2010) Eugene N Muratov et al.   Future Medicinal Chemistry

QSAR analysis of [(biphenyloxy)propyl]isoxazoles: agents against coxsackievirus B3

(2010) Eugene N Muratov et al.   Future Medicinal Chemistry

Characterization of Mixtures. Part 2: QSPR Models for Prediction of Excess Molar Volume and Liquid Density Using Neural Networks

(2010) Subhash Ajmani  et al.   Molecular Informatics

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

(2010) Andreas Klamt et al.   Annual Review of Chemical and Biomolecular Engineering

UNIFAC Model for Ionic Liquids

(2009) Zhigang Lei et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity

(2009) Pavel G. Polishchuk et al.   Journal of Chemical Information and Modeling

Hierarchical QSAR technology based on the Simplex representation of molecular structure

(2008) V. E. Kuz’min et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Characterization of Mixtures Part 1: Prediction of Infinite-Dilution Activity Coefficients Using Neural Network-Based QSPR Models

(2008) Subhash Ajmani et al.   Quantitative structure-activity relationships & combinatorial science