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COMPUTATIONAL METHODS
IN TOXICOLOGY
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COMPUTATIONAL METHODS
IN TOXICOLOGY
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Predicting mode
of action toxicity from structure: A hierarchical approach.
A novel
Electron-Conformational
Approach to Molecular Modeling for QSAR by Identification of the
Pharmacophore and Anti-Pharmacophore
A QSAR
Study of the Binding of Suspected Endocrine Disrupting Compounds
(EDCs) to the Estrogen Receptor
Estimating
Octanol-Water Partition Coefficients with an Autocorrelation / Neural
Network Model
Predicting
the toxicity of Chemicals to Luminescent Bacteria
Comparative Molecular Field Analysis of
Nitroaromatic Mutagenicity in Salmonella Typhimurium TA98 and
TA100 With and Without S9 Activation.
Trees with the Same Topological Index JJ
Comparison
of QSAR Models Developed for Acute Oral Toxicity (LD50)
by Regression and Neural Network Techniques.
A Hierarchical
Approach to Predictive Toxicology using Computed Molecular
Descriptors.
Use of Linear
Solvation Energy Relationship (LSER) to Estimate Metal Baseline
Aquatic Toxicity.
Neural network modeling of Vibrio fischeri and fathead
minnow acute toxicity data with molecular indicator variables and
physico-chemical bulk parameters.
Comparison of Commercially Available Programs for Calculating
Octanol-Water LogP.
QSAR
of Phosphorus Fluoridates: Toxicity vs Reactivity
How do we deal with the diversity of chemicals faced
by US Air Force toxicologists?