2015

Qualitative and quantitative structure-activity relationship modelling for predicting blood-brain barrier permeability of structurally diverse chemicals

2012

The use of Bayesian nonlinear regression techniques for the modelling of the retention behaviour of volatile components of Artemisia species

2011

An integrated QSAR-PBPK modelling approach for predicting the inhalation toxicokinetics of mixtures of volatile organic chemicals in the rat

QSARs for PBPK modelling of environmental contaminants

2008

An integrated QSPR-PBPK modelling approach for in vitro-in vivo extrapolation of pharmacokinetics in rats

Externally validated QSPR modelling of VOC tropospheric oxidation by NO3 radicals

2007

A general structure-property relationship to predict the enthalpy of vaporisation at ambient temperatures

Fruit Tree model for uptake of organic compounds from soil and air

"Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches"

2005

QSPR analysis of the partitioning of vaporous chemicals in a water-gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and hybot descriptors

2004

Implementation of depth-dependent soil concentrations in multimedia mass balance models

2002

Prediction of tissue-air partition coefficients: a comparison of structure-based and property-based methods

Variable selection for QSAR by artificial ant colony systems

Ranking of volatile organic compounds for tropospheric degradability by oxidants: a QSPR approach

Implication of SAR of male medfly attractants in insect olfaction

2001

Quantitative structure-property relationships generated with optimizable even/odd Wiener polynomial descriptors

1995

Nonlinear Multivariate SAR of Lepidoptera Pheromones