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Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/Quantitative_structure–activity_relationship> ?p ?o }

• Quantitative_structure–activity_relationship abstract "Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models relate a set of "predictor" variables (X) to the potency of the response variable (Y), while classification QSAR models relate the predictor variables to a categorical value of the response variable.In QSAR modeling, the predictors consist of physico-chemical properties or theoretical molecular descriptors of chemicals; the QSAR response-variable could be a biological activity of the chemicals. QSAR models first summarize a supposed relationship between chemical structures and biological activity in a data-set of chemicals. Second, QSAR models predict the activities of new chemicals.Related terms include quantitative structure–property relationships (QSPR) when a chemical property is modeled as the response variable.As an example, biological activity can be expressed quantitatively as the concentration of a substance required to give a certain biological response. Additionally, when physicochemical properties or structures are expressed by numbers, one can find a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical expression, if carefully validated can then be used to predict the modeled response of other chemical structures. A QSAR has the form of a mathematical model: Activity = f(physiochemical properties and/or structural properties) + errorThe error includes model error (bias) and observational variability, that is, the variability in observations even on a correct model.".
• Quantitative_structure–activity_relationship wikiPageExternalLink www.3d-qsar.com.
• Quantitative_structure–activity_relationship wikiPageExternalLink www.qsar.org.
• Quantitative_structure–activity_relationship wikiPageExternalLink www.qsarworld.com.
• Quantitative_structure–activity_relationship wikiPageExternalLink software-tools.
• Quantitative_structure–activity_relationship wikiPageExternalLink 0471270903.pdf.
• Quantitative_structure–activity_relationship wikiPageExternalLink development_of_qsar_models_usi_1.php.
• Quantitative_structure–activity_relationship wikiPageID "826669".
• Quantitative_structure–activity_relationship wikiPageLength "30266".
• Quantitative_structure–activity_relationship wikiPageOutDegree "111".
• Quantitative_structure–activity_relationship wikiPageRevisionID "678664195".
• Quantitative_structure–activity_relationship wikiPageWikiLink ADME.
• Quantitative_structure–activity_relationship wikiPageWikiLink Acid_dissociation_constant.
• Quantitative_structure–activity_relationship wikiPageWikiLink Alkane.
• Quantitative_structure–activity_relationship wikiPageWikiLink Alkanes.
• Quantitative_structure–activity_relationship wikiPageWikiLink Applicability_domain.
• Quantitative_structure–activity_relationship wikiPageWikiLink Artificial_neural_network.
• Quantitative_structure–activity_relationship wikiPageWikiLink Assay.
• Quantitative_structure–activity_relationship wikiPageWikiLink Bias_of_an_estimator.
• Quantitative_structure–activity_relationship wikiPageWikiLink Bioisostere.
• Quantitative_structure–activity_relationship wikiPageWikiLink Bioisosterism.
• Quantitative_structure–activity_relationship wikiPageWikiLink Biological_activity.
• Quantitative_structure–activity_relationship wikiPageWikiLink Biological_target.
• Quantitative_structure–activity_relationship wikiPageWikiLink Biotransformation.
• Quantitative_structure–activity_relationship wikiPageWikiLink Boiling_point.
• Quantitative_structure–activity_relationship wikiPageWikiLink Category:Cheminformatics.
• Quantitative_structure–activity_relationship wikiPageWikiLink Category:Computational_chemistry.
• Quantitative_structure–activity_relationship wikiPageWikiLink Category:Drug_discovery.
• Quantitative_structure–activity_relationship wikiPageWikiLink Category:Medicinal_chemistry.
• Quantitative_structure–activity_relationship wikiPageWikiLink Category:Paradoxes.
• Quantitative_structure–activity_relationship wikiPageWikiLink Chemical_classification.
• Quantitative_structure–activity_relationship wikiPageWikiLink Chemical_compound.
• Quantitative_structure–activity_relationship wikiPageWikiLink Chemical_reaction.
• Quantitative_structure–activity_relationship wikiPageWikiLink Chemical_structure.
• Quantitative_structure–activity_relationship wikiPageWikiLink Chemicalize.org.
• Quantitative_structure–activity_relationship wikiPageWikiLink Cheminformatics.
• Quantitative_structure–activity_relationship wikiPageWikiLink Coding_(social_sciences).
• Quantitative_structure–activity_relationship wikiPageWikiLink Computer-assisted_drug_design.
• Quantitative_structure–activity_relationship wikiPageWikiLink Conformation_Activity_Relationship.
• Quantitative_structure–activity_relationship wikiPageWikiLink Conformation_activity_relationship.
• Quantitative_structure–activity_relationship wikiPageWikiLink Convex_hull.
• Quantitative_structure–activity_relationship wikiPageWikiLink Correlation.
• Quantitative_structure–activity_relationship wikiPageWikiLink Correlation_and_dependence.
• Quantitative_structure–activity_relationship wikiPageWikiLink Crystallography.
• Quantitative_structure–activity_relationship wikiPageWikiLink Data_mining.
• Quantitative_structure–activity_relationship wikiPageWikiLink Decision_tree.
• Quantitative_structure–activity_relationship wikiPageWikiLink Dependent_and_independent_variables.
• Quantitative_structure–activity_relationship wikiPageWikiLink Differential_solubility.
• Quantitative_structure–activity_relationship wikiPageWikiLink Dimensionality_reduction.
• Quantitative_structure–activity_relationship wikiPageWikiLink Drug_design.
• Quantitative_structure–activity_relationship wikiPageWikiLink Drug_development.
• Quantitative_structure–activity_relationship wikiPageWikiLink Drug_discovery.
• Quantitative_structure–activity_relationship wikiPageWikiLink Druglikeness.
• Quantitative_structure–activity_relationship wikiPageWikiLink Enzyme.
• Quantitative_structure–activity_relationship wikiPageWikiLink European_Union.
• Quantitative_structure–activity_relationship wikiPageWikiLink Extrapolation.
• Quantitative_structure–activity_relationship wikiPageWikiLink Feature_extraction.
• Quantitative_structure–activity_relationship wikiPageWikiLink Feature_selection.
• Quantitative_structure–activity_relationship wikiPageWikiLink Finite_set.
• Quantitative_structure–activity_relationship wikiPageWikiLink Force_field_(chemistry).
• Quantitative_structure–activity_relationship wikiPageWikiLink Graph_kernel.
• Quantitative_structure–activity_relationship wikiPageWikiLink Half_sandwich_compound.
• Quantitative_structure–activity_relationship wikiPageWikiLink Hammett_equation.
• Quantitative_structure–activity_relationship wikiPageWikiLink Higher_alkanes.
• Quantitative_structure–activity_relationship wikiPageWikiLink History.
• Quantitative_structure–activity_relationship wikiPageWikiLink Hypotheses.
• Quantitative_structure–activity_relationship wikiPageWikiLink Hypothesis.
• Quantitative_structure–activity_relationship wikiPageWikiLink Induction_(philosophy).
• Quantitative_structure–activity_relationship wikiPageWikiLink Inductive_reasoning.
• Quantitative_structure–activity_relationship wikiPageWikiLink Iterative_cross-validation_(statistics).
• Quantitative_structure–activity_relationship wikiPageWikiLink Learning.
• Quantitative_structure–activity_relationship wikiPageWikiLink Lennard-Jones_potential.
• Quantitative_structure–activity_relationship wikiPageWikiLink Linear_trend_estimation.
• Quantitative_structure–activity_relationship wikiPageWikiLink Lipinskis_Rule_of_Five.
• Quantitative_structure–activity_relationship wikiPageWikiLink Lipinskis_rule_of_five.
• Quantitative_structure–activity_relationship wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
• Quantitative_structure–activity_relationship wikiPageWikiLink Machine_learning.
• Quantitative_structure–activity_relationship wikiPageWikiLink Matched_molecular_pair_analysis.
• Quantitative_structure–activity_relationship wikiPageWikiLink Mathematical_model.
• Quantitative_structure–activity_relationship wikiPageWikiLink Maximum_common_subgraph_isomorphism_problem.
• Quantitative_structure–activity_relationship wikiPageWikiLink Metabolic_pathway.
• Quantitative_structure–activity_relationship wikiPageWikiLink Minimum-variance_unbiased_estimator.
• Quantitative_structure–activity_relationship wikiPageWikiLink Model_error.
• Quantitative_structure–activity_relationship wikiPageWikiLink Molecular_Informatics.
• Quantitative_structure–activity_relationship wikiPageWikiLink Molecular_design_software.
• Quantitative_structure–activity_relationship wikiPageWikiLink Molecular_geometry.
• Quantitative_structure–activity_relationship wikiPageWikiLink Molecular_property.
• Quantitative_structure–activity_relationship wikiPageWikiLink Molecule_mining.
• Quantitative_structure–activity_relationship wikiPageWikiLink Multiple-instance_learning.
• Quantitative_structure–activity_relationship wikiPageWikiLink Neural_networks.
• Quantitative_structure–activity_relationship wikiPageWikiLink Organic_chemistry.
• Quantitative_structure–activity_relationship wikiPageWikiLink Overfitting.
• Quantitative_structure–activity_relationship wikiPageWikiLink Partial_least_squares.
• Quantitative_structure–activity_relationship wikiPageWikiLink Partial_least_squares_regression.
• Quantitative_structure–activity_relationship wikiPageWikiLink Partition_coefficient.
• Quantitative_structure–activity_relationship wikiPageWikiLink Pharmacokinetics.
• Quantitative_structure–activity_relationship wikiPageWikiLink Pharmacophore.
• Quantitative_structure–activity_relationship wikiPageWikiLink Predictive_inference.
• Quantitative_structure–activity_relationship wikiPageWikiLink Protein_domain.
• Quantitative_structure–activity_relationship wikiPageWikiLink QSAR_&_Combinatorial_Science.

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