Quantitative structure-property relationship for surface tension of some common alcohols

Quantitative structure-activity relationship study on the inhibitors of fatty acid amide hydrolase

(2010) Peng Lu et al.   JOURNAL OF CHEMOMETRICS

Critical comparative analysis, validation and interpretation of SVM and PLS regression models in a QSAR study on HIV-1 protease inhibitors

(2009) Noslen Hernández et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine

(2009) Yong Pan et al.   JOURNAL OF HAZARDOUS MATERIALS

A new group contribution-based model for estimation of lower flammability limit of pure compounds

(2009) Farhad Gharagheizi   JOURNAL OF HAZARDOUS MATERIALS

Artificial Neural Network-Based Quantitative Structural Property Relationship for Predicting Boiling Points of Refrigerants

(2009) Jahanbakhsh Ghasemi et al.   Quantitative structure-activity relationships & combinatorial science

Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques

(2008) Kunal Roy et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Applying a QSPR correlation to the prediction of surface tensions of ionic liquids

(2008) Ramesh L. Gardas et al.   FLUID PHASE EQUILIBRIA

Prediction of impact sensitivity of nitro energetic compounds by neural network based on electrotopological-state indices

(2008) Rui Wang et al.   JOURNAL OF HAZARDOUS MATERIALS

Genetic algorithm as a variable selection procedure for the simulation of 13C nuclear magnetic resonance spectra of flavonoid derivatives using multiple linear regression

(2008) Raoof Ghavami et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Highly correlating distance/connectivity-based topological indices

(2008) Mojtaba Shamsipur et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

QSPR prediction of N-boiling point and critical properties of organic compounds and comparison with a group-contribution method

(2007) Davide Sola et al.   FLUID PHASE EQUILIBRIA

Modeling and prediction (correction) of partition coefficients of bile acids and their derivatives by multivariate regression methods

(2007) Costel Sârbu et al.   TALANTA