Quantitative Structure Activity Relationship

Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis

Immunology / Autoimmunity / Humans / Female / Male / Quantitative Structure Activity Relationship / Cosmetics / Molecular Mimicry / Occupational Exposure / Indexation / Structure activity Relationship / Primary Biliary Cirrhosis / Methyl Ester / Chemical Structure / Autoantibodies / Mitochondrial Proteins / Quantitative Structure Activity Relationship / Cosmetics / Molecular Mimicry / Occupational Exposure / Indexation / Structure activity Relationship / Primary Biliary Cirrhosis / Methyl Ester / Chemical Structure / Autoantibodies / Mitochondrial Proteins

Ionic liquids: a pathway to environmental acceptability

Ionic Liquids / Quantitative Structure Activity Relationship / CHEMICAL SCIENCES / Pyridines / Environmental Pollutants / Imidazoles / Quinolines / Quaternary Ammonium Compounds / Imidazoles / Quinolines / Quaternary Ammonium Compounds

Environmental and structural proteomics

Proteomics / Quantitative Structure Activity Relationship / Ecosystem / Proteome / Biochemistry and cell biology / Gene expression profiling

Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species

Analytical Chemistry / Discriminant Analysis / Markov chains / Viruses / Quantitative Structure Activity Relationship / Antiviral Agents / Markov model / Antiviral Agents / Markov model

Studies on Log Po/w of Quinoxaline di-N-Oxides: A Comparison of RP-HPLC Experimental and Predictive Approaches

Organic Chemistry / Tuberculosis / Mycobacterium tuberculosis / HPLC / Quantitative Structure Activity Relationship / High Pressure Liquid Chromatography / Molecules / Lipophilicity / Microbial Sensitivity Tests / log P / Quinolines / High Pressure Liquid Chromatography / Molecules / Lipophilicity / Microbial Sensitivity Tests / log P / Quinolines

Identification of 2-nonynoic acid, a cosmetic component, as a potential trigger of primary biliary cirrhosis

Immunology / Autoimmunity / Humans / Female / Male / Quantitative Structure Activity Relationship / Cosmetics / Molecular Mimicry / Occupational Exposure / Indexation / Structure activity Relationship / Primary Biliary Cirrhosis / Methyl Ester / Chemical Structure / Autoantibodies / Quantitative Structure Activity Relationship / Cosmetics / Molecular Mimicry / Occupational Exposure / Indexation / Structure activity Relationship / Primary Biliary Cirrhosis / Methyl Ester / Chemical Structure / Autoantibodies

CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines

Organic Chemistry / Quantitative Structure Activity Relationship / Prodigiosin / Antimalarials / Molecular Structure

Simple parameterization of non-proteinogenic amino acids for QSAR of antibacterial peptides

Peptide Science / Computer Simulation / Escherichia coli / Animals / Staphylococcus aureus / Drug Design / Peptides / Quantitative Structure Activity Relationship / Cattle / Anti-Bacterial Agents / Microbial Sensitivity Tests / Amino Acid Profile / Drug Design / Peptides / Quantitative Structure Activity Relationship / Cattle / Anti-Bacterial Agents / Microbial Sensitivity Tests / Amino Acid Profile

3D-QSAR design of novel antiepileptic sulfamides

Organic Chemistry / Epilepsy / Mice / Female / Animals / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure

3D-QSAR design of novel antiepileptic sulfamides

Organic Chemistry / Epilepsy / Mice / Female / Animals / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure

PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables

Algorithms / Research Design / Animals / Drug Design / Quantitative Structure Activity Relationship / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae

Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure–activity study

Organic Chemistry / Biofilms / Discriminant Analysis / Escherichia coli / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / Bioorganic and medicinal Chemistry / Anti-Bacterial Agents / Bioorganic and medicinal Chemistry

Designing Antibacterial Compounds through a Topological Substructural Approach

Algorithms / Expert Systems / Chemical / Drug Design / Cluster Analysis / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY

QSAR study on some antirhino/enteroviral vinylacetylene benzimidazoles

Pharmacology / Pharmacy / Quantitative Structure Activity Relationship / Multiple Linear Regression / Correlation Analysis / Indexation / Antiviral Activity / Physicochemical Properties / Toxicity Testing / Topological Indices / Indexation / Antiviral Activity / Physicochemical Properties / Toxicity Testing / Topological Indices

Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents

Organic Chemistry / Principal Component Analysis / Pharmaceutical Chemistry / Mitosis / Humans / Drug Design / Regression Analysis / Quantitative Structure Activity Relationship / Microtubules / Surface Area / Molecular Structure / Drug Design / Regression Analysis / Quantitative Structure Activity Relationship / Microtubules / Surface Area / Molecular Structure

QSAR Study on Some Antirhino/Enteroviral Vinylacetylene Benzimidazoles

Pharmacology / Pharmacy / Quantitative Structure Activity Relationship / Multiple Linear Regression / Correlation Analysis / Indexation / Antiviral Activity / Physicochemical Properties / Toxicity Testing / Topological Indices / Indexation / Antiviral Activity / Physicochemical Properties / Toxicity Testing / Topological Indices

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