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SAR and QSAR in Environmental Research|June 10, 2025
Structural insights and molecular profiling of a large set of diverse compounds targeting PPARγ: from comprehensive cheminformatics approach to tool developmentS A Amin, G Chakraborty, R Tarafdar, et al.
SAR and QSAR in Environmental Research|June 6, 2025
Discovery of novel 1,3,4-oxadiazole derivatives as anticancer agents targeting thymidine phosphorylase: pharmacophore modelling, virtual screening, molecular docking, ADMET and DFT analysisA Murmu, B W Matore, P Banjare, et al.
SAR and QSAR in Environmental Research|March 20, 2025
Binding mechanism of inhibitors to DFG-in and DFG-out P38α deciphered using multiple independent Gaussian accelerated molecular dynamics simulations and deep learningG Xu, W Zhang, J Du, et al.
SAR and QSAR in Environmental Research|April 12, 2013
On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methodsD A Saldana, L Starck, P Mougin, et al.
SAR and QSAR in Environmental Research|January 10, 2013
Application of variable anti-connectivity index to active sites. Modelling pK(a) values of aliphatic monocarboxylic acidsA Sčavničar, A T Balaban, M Pompe
SAR and QSAR in Environmental Research|June 6, 2013
Polycyclic aromatic hydrocarbon reaction rates with peroxy-acid treatment: prediction of reactivity using local ionization potentialJ M Shoulder, N S Alderman, C M Breneman, et al.
SAR and QSAR in Environmental Research|March 27, 2012
Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitorsJ Devillers, J P Doucet, A Doucet-Panaye, et al.
SAR and QSAR in Environmental Research|June 1, 2012
The definition of the applicability domain relevant to skin sensitization for the aromatic nucleophilic substitution mechanismS J Enoch, T W Schultz, M T D Cronin
SAR and QSAR in Environmental Research|May 18, 2012
PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptorsS L Ma, J Y Joung, S Lee, et al.
SAR and QSAR in Environmental Research|November 17, 2009
Prediction of biomagnification factors for some organochlorine compounds using linear free energy relationship parameters and artificial neural networksM H Fatemi, M H Abraham, M Haghdadi
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