A computational structure-property relationship study of glass transition temperatures for a diverse set of polymers

Development of a novelin silicomodel of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

(2016) Ewelina Wyrzykowska et al.   NANOTECHNOLOGY

Quantitative structure-property relationship model leading to virtual screening of fullerene derivatives: Exploring structural attributes critical for photoconversion efficiency of polymer solar cell acceptors

(2016) Supratik Kar et al.   Nano Energy

QSPR studies on refractive indices of structurally heterogeneous polymers

(2015) Pablo R. Duchowicz et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS

(2014) Paola Gramatica et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Optimal descriptors as a tool to predict the thermal decomposition of polymers

(2014) Alla P. Toropova et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

QSARINS: A new software for the development, analysis, and validation of QSAR MLR models

(2013) Paola Gramatica et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations

(2013) Lucky Ahmed et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

An accurate model for the prediction of the glass transition temperature of ammonium based ionic liquids: A QSPR approach

(2012) Seyyed Alireza Mirkhani et al.   FLUID PHASE EQUILIBRIA

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

(2011) Nicola Chirico et al.   Journal of Chemical Information and Modeling

Quantitative structure–property relationships for the reactivity parameters of acrylate monomers

(2008) Xinliang Yu et al.   EUROPEAN POLYMER JOURNAL