Application of quantitative structure-toxicity relationships for acute NSAID cytotoxicity in rat hepatocytes
Keywords: بزرگسال ; NSAID; Glucuronidation borneol; QSTR; QSAR;
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Correlation ranking procedure for factor selection in PC-ANN modeling and application to ADMETox evaluation
Keywords: بزرگسال ; PC-ANN; Correlation ranking; Genetic algorithm; QSAR; Carcinogenic activity; Blood-brain barrier;
Chemical-biological interactions in human
Keywords: بزرگسال ; Chemical-biological interactions; Hammett parameters; Sterimol parameters; Hydrophobicity; Human; QSAR;
Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic
Keywords: بزرگسال ; Anthelmintic activity; QSAR; tomocomd-cardd software; Total and local linear indices; Virtual screening;
A comparison between two polarizability parameters in chemical–biological interactions
Keywords: بزرگسال ; Chemical–biological interactions; Hydrophobicity; Molar refractivity; NVE; Polarizability; QSAR
Physiologically Based Pharmacokinetic Modeling 1: Predicting the Tissue Distribution of Moderate-to-Strong Bases
Keywords: بزرگسال ; in silico modeling; pharmacokinetics; phospholipids; tissue partition; physiological model; physicochemical properties; beta-blockers; partition coefficients; QSAR; PBPK modeling;
A QSAR review on melanoma toxicity
Keywords: بزرگسال ; QSAR; Melanoma cells; Hydrophobicity; Molar refractivity; Sterimol parameters;
On the role of polarizability in QSAR
Keywords: بزرگسال ; Polarizability; NVE; QSAR; Enzymes; Receptors; Chemical-biological interaction;
General Linearized Biexponential Model for QSAR Data Showing Bilinear-Type Distribution
Keywords: بزرگسال ; alcohol toxicity; biophysical model; corticosteroids; log P; mathematical model; model selection criteria; nonlinear regression; physicochemical properties; QSAR; QSPR;
Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling
Keywords: بزرگسال ; Active site flexibility; Activated factor X inhibitors; Pharmacophore modeling; Genetic algorithm; Multiple linear regression; QSAR;
The DNA trackwalkers: Principles of lesion search and recognition by DNA glycosylases
Keywords: بزرگسال ; 1D, 3D; one-, three-dimensional; 8-oxoG, 8-oxodG; 8-oxoguanine, 8-oxo-2â²-deoxyguanosine; AP; abasic (site); BER; base excision repair; DHU; dihydrouracil; dsDNA; double-stranded DNA; Fapy-A, Fapy-G; formamidopyrimidine derivatives of A and G, respective
From Hopfield nets to recursive networks to graph machines: Numerical machine learning for structured data
Keywords: بزرگسال ; Graph; Graph machine; Structured data; Recursive network; Folding network; Recurrent network; Neural network; SVM; QSAR; QSPR; RAAM; LRAAM; Classification; Regression;