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quantitative structure-activity relationship


mathematical model


quantitative structure-property relationship


toxicological hazard


physiochemical property


chemical information storage and retrieval


pharmaceutical design


pharmaceutical engineering


pharmaceutical analysis


chemical property


quantitative chemical analysis


molecular structure


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Quantitative Structure-Activity Relationship Experts

The following experts are available as quantitative structure-activity relationship consultants and quantitative structure-activity relationship expert witnesses.  ORC experts are peer-recommended authorities who have been carefully selected and rigorously screened.
    Definition:  Quantitative Structure-Activity Relationship - A mathematical model which predicts either physical, pharmaceutical, or toxicological properties of chemicals from their structure.

Synonyms:  QSAR

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Expert in Polyphenols, Chemometric Analysis, QSAR, Computational Chemistry
Expert's list of publications includes work on the subjects of Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin; A theoretical interpretation of the color of two classes of pyranoanthocyanins; a ... See full profile

Porto, Portugal

Expert in Medicinal Chemistry, Synthetic Organic Chemistry, Drug Discovery, Pharmacokinetics
Expert has strong knowledge in asymmetric multi-step organic synthesis, scaffold design and library development with ability to solve challenging chemistry problems and have authored peer-reviewed articles and patents. Expert is a synthetic and ... See full profile

Wisconsin (WI), USA

Expert in Applied Computational Chemistry, Polymer Science and Analytical Science
Expert has been a recognized expert and consultant in the chemical industry for more than 20 years. His computational chemistry experience has spanned everything from the "what if" questions of identifying target molecules to synthesize... See full profile

Delaware (DE), USA

Expert in Toxicology, Environmental Health and Safety, OSHA Regulatory, Mold, Healthcare and Laboratory Safety
Expert's experience is very broad in the areas of chemicals effects on humans and environmental systems. He has performed academic research on the effects of hazardous chemicals on the lungs, as well as carcinogenic effects of chemicals and air ... See full profile

Massachusetts (MA), USA

Expert in Dermal Drug Delivery
Dermal absorption; skin absorption; membrane permeation (especially skin). Expert has focused his laboratory work for over 20 years on the above topics, during which time he has written over 100 publications. His studies have included ... See full profile

Michigan (MI), USA

Expert in Pesticide Toxicology, Pesticide Chemistry
Expert has done research in pesticide toxicology and chemistry, focused primarily on insecticides, including the chlorinated hydrocarbons (such as DDT, methoxychlor, dieldrin, and heptachlor), the pyrethroids (such as pyrethrum and many synthetic ... See full profile

Iowa (IA), USA

Expert in Chiral Chromatography, Chirality, Chiral Surfaces, Computational Chemistry, etc.
Molecular modeling. Expert has expertise in implementing quantum mechanics, molecular mechanics, and statistical thermodynamics in tandem with molecular graphics in order to determine the energies, structures, and properties of organic and ... See full profile

Indiana (IN), USA

Expert in Materials Characterization via Solid State Diffraction and Computer Simulation
Expert has 30 years experience as a working crystallographer and X-ray diffractionist, including both single-crystal and powder diffraction. for the purpose of molecular structure determination and solid state materials characterization. Dr. See full profile

Louisiana (LA), USA


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