This review is dedicated to a survey on molecular similarity and diversity. Key findings
reported in recent investigations are selectively highlighted and summarized. Even if this …

Support vector machines (SVMs) were used to develop QSAR models that correlate
molecular structures to their toxicity and bioactivities. The performance and predictive ability …

Extraction of dibenzothiophene from dodecane using ionic liquids as the extracting phase
has been investigated for a range of ionic liquids with varying cation classes (imidazolium …

In the present work, we report the development of models for the prediction of two fuel
properties: flash points (FPs) and cetane numbers (CNs), using quantitative structure …

A melting point at or below ambient temperature is an essential property of ionic liquids
being considered as non-volatile replacement solvents. Here we use the Quantitative …

A general QSPR model (R 2= 0.940, s= 0.018) was developed for the prediction of the
refractive index for a diverse set of amorphous homopolymers with the CODESSA program …

As a new method, support vector machine (SVM) were applied for prediction of toxicity of
different data sets compared with other two common methods, multiple linear regression …

A new quantitative structure− property relationship (QSPR) five-parameter correlation (R 2=
0.946) of molar glass transition temperatures (T g/M) for a diverse set of 88 polymers is …

In the present study a quantitative structure–activity relationship (QSAR) technique was
developed to investigate the blood-to-brain barrier partitioning behavior (log BB) for various …

A novel approach to the prediction of the physical properties of polymers is presented. A
QSPR study, involving the use of a newly developed statistical package, CODESSA, is …