Abstracts of publications related to QSAR
Identifieur interne : 001261 ( Main/Merge ); précédent : 001260; suivant : 001262Abstracts of publications related to QSAR
Auteurs :Source :
- Quantitative Structure‐Activity Relationships [ 0931-8771 ] ; 1991.
English descriptors
- Teeft :
- Abbott laboratories abbot park, Abstr, Acidic dissociation, Acrylate monomers, Active analog approach, Active conformation, Active site, Active site cavity, Adenosine, Adenosine deaminase, Adenosine derivatives, Agonist, Agonist site, Algorithm, Aliphatic, Aliphatic compounds, Ambient conditions, Amino, Amino acids, Analgesic potency, Analogue, Antispasmodic activity, Antitumor agents, Antitumor antibiotic porfiromycin, Aqueous solubility, Aqueous system, Aromatase, Aromatic, Aromatic ring, Aromatic rings, Atomic coordinates, Axonal membrane, Azabicycloalkyl moieties, Backbone torsional angles, Benzodiazepine, Benzodiazepine derivatives, Benzodiazepine receptor, Benzodiazepine receptor ligands, Bile acids, Binding affinity, Binding site cavity, Biological activities, Biological activity, Biological activity values, Biological material, Biomedicinal chemistry, Blaise pascal, Bond angles, Cancer research campaign biomolecular structure unit, Capacity factor, Carbon atoms, Carbony1 group, Carbonyl, Carbonyl group, Cation concentration, Central research division, Cephalosporin esters, Chem, Chemical compounds, Chemical descriptors, Chlorinated alkylbenzenes, Chromatographic retention indices, Clogp algorithm, Cluster analysis, Coefficient, Color coding, Color plates, Compound, Computer graphics, Conformation, Conformational, Conformational analysis, Conformational energies, Conformational search program, Conformers, Connectivity, Connectivity index, Contaminant concentration, Correlation analysis, Corresponding atoms, Crystal structure, Crystalline symmetry, Crystallographic studies, Data base, Deeper understanding, Depolarizing activity, Derivative, Descriptor, Diazepam receptor, Difference spectra, Different features, Different types, Diffraction analysis, Diffraction study, Diphenylmethane carbon, Distribution coefficients, Dohme research laboratories, Drug design, Dual grid, Dynamics structure, Edulinine analogues, Efficient algorithm, Electronic parameter, Electronic parameters, Electronwithdrawing power, Electrostatic interactions, Electrostatic recognition, Energy conformations, Energy conformers, Energy difference, Energy minimization, Enteric bacteria, Enzyme aromatase, Enzyme inhibitors, Enzymelinhibitor complexes, Enzymes aromatase, Estuarine organisms, Federal republic, Fine chemicals directory, Free base, Functional groups, General form, Gibbs energy, Good agreement, Graphical display, Graphics, Grid, Herbicidal phenylureas, Hexadecane, Human erythrocyte, Human leukocyte elastase, Human renin, Hydrophilic zone, Hydrophobic, Hydrophobic factor, Hydrophobic pocket, Hydrophobicity, Hypolipidemic activity, Icso, Imidazolinone herbicides, Imidazolinone ring, Inactivation domain, Inactive compounds, Inhibition, Inhibitor, Inhibitory activity, Izumi strains, Laevis embryos, Lewis lung carcinoma, Life span, Ligand, Linear regression equations, Lipophilic, Lipophilic zone, Lipophilicity, Liquid chromatography, Local density charge, Logarithm, Logk, Logp, Logp values, Lone electron pair, Lyase, Lysozyme substrate, Main features, Major approaches, Medicinal chemical research, Medicinal chemistry, Methyl ethers, Methyl group, Methyl groups, Michaelis inhibition, Minimum energy conformation, Minimum energy conformations, Modeling, Modeling study, Moiety, Molar, Molar concentration, Molar refractivity, Molecular, Molecular charge descriptors, Molecular connectivity indices, Molecular dynamics method, Molecular graph, Molecular graphics, Molecular mechanics, Molecular mechanics calculations, Molecular modeling, Molecular modeling studies, Molecular orbitals, Molecular sructures, Molecular structures, Molecular surface, Molecular surfaces, Molecular weight, Molecule, Mongrel dogs, Mosquito larvae, Multivariate analysis, Mutagenicity, Narrow cleft, Natural substrates, Negative logarithm, Nephotettix cincticeps, Neural network, Nitrogen atom, Nitrogen atoms, Nucleophilic superdelocalizability, Opioid peptides, Optimized structures, Organic matter, Organic solutes, Organische chemie, Orotic acid, Ortho substituents, Oxygen atoms, Parabolic, Parameter, Paris cedex, Partition, Partition coefficient, Partition coefficients, Partition function, Pattern recognition, Peptide, Pharm, Pharmaceutical products division, Pharmacophore, Pharmacophore model, Phase hplc, Phenyl, Phenyl ring, Phenyl rings, Physical chemistry, Physicochemical, Physicochemical properties, Picrotoxinin, Picrotoxinin receptor, Place jussieu, Polychlorinated biphenyls, Porcine pepsinogen, Porfiromycin, Potential energy surfaces, Principal component analysis, Principal components, Prorenin, Protein sequence analysis, Protein structure prediction, Protein surfaces, Purine, Purine ring, Qsar, Qsar study, Qualitative model, Quant, Quantitative analysis, Quantitative relationship models, Quantitative relationship studies, Quantitative relationships, Quantitative studies, Receptor, Receptor binding affinity, Receptor site, Refractivity, Regression, Regression analysis, Regression equation, Regression equations, Relat, Relative activities, Renin, Resonance effect, Retention factor, Ring systems, Salmonella, Salmonella typhimurium, Saskatchewan saskatoon, Second order rate, Selectivity, Separate equations, Serine protease, Serotonin, Serotonin receptor, Side chain, Significant correlation, Significant correlations, Significant equation, Significant parabolic regression equation, Significant parabolic regression equations, Significant regression equation, Smooth surface, Solid line, Solid solutes, Solubility, Solute, Solute pairs, Southern california, Space curve, Specific receptor ligands, Square deviation, Stable conformers, Staphylococcus aureus, Steric, Steric effects, Steric parameter, Sterimol steric parameters, Structural basis, Structural modifications, Structural requirements, Structure evaluation, Structure prediction, Substituent, Substituents, Substitution pattern, Substrate binding cleft, Substructural descriptors, Substructure, Substructure systems, Superimposition, Superoxide dismutase, Superposition, Surface neighborhood, Symmetric objects, Symptomatic activities, Target receptor, Test compound, Test compounds, Test organisms, Topical application, Topological, Torsion angles, Total concentration, Toxicity, Toxicity values, Trapidil derivatives, Various properties, Various substituents, Wads volume, Water solubility.
Url:
DOI: 10.1002/qsar.19910100111
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<title level="j" type="abbrev">Quant. Struct.‐Act. Relat.</title>
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<pubPlace>Weinheim</pubPlace>
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<profileDesc><textClass><keywords scheme="Teeft" xml:lang="en"><term>Abbott laboratories abbot park</term>
<term>Abstr</term>
<term>Acidic dissociation</term>
<term>Acrylate monomers</term>
<term>Active analog approach</term>
<term>Active conformation</term>
<term>Active site</term>
<term>Active site cavity</term>
<term>Adenosine</term>
<term>Adenosine deaminase</term>
<term>Adenosine derivatives</term>
<term>Agonist</term>
<term>Agonist site</term>
<term>Algorithm</term>
<term>Aliphatic</term>
<term>Aliphatic compounds</term>
<term>Ambient conditions</term>
<term>Amino</term>
<term>Amino acids</term>
<term>Analgesic potency</term>
<term>Analogue</term>
<term>Antispasmodic activity</term>
<term>Antitumor agents</term>
<term>Antitumor antibiotic porfiromycin</term>
<term>Aqueous solubility</term>
<term>Aqueous system</term>
<term>Aromatase</term>
<term>Aromatic</term>
<term>Aromatic ring</term>
<term>Aromatic rings</term>
<term>Atomic coordinates</term>
<term>Axonal membrane</term>
<term>Azabicycloalkyl moieties</term>
<term>Backbone torsional angles</term>
<term>Benzodiazepine</term>
<term>Benzodiazepine derivatives</term>
<term>Benzodiazepine receptor</term>
<term>Benzodiazepine receptor ligands</term>
<term>Bile acids</term>
<term>Binding affinity</term>
<term>Binding site cavity</term>
<term>Biological activities</term>
<term>Biological activity</term>
<term>Biological activity values</term>
<term>Biological material</term>
<term>Biomedicinal chemistry</term>
<term>Blaise pascal</term>
<term>Bond angles</term>
<term>Cancer research campaign biomolecular structure unit</term>
<term>Capacity factor</term>
<term>Carbon atoms</term>
<term>Carbony1 group</term>
<term>Carbonyl</term>
<term>Carbonyl group</term>
<term>Cation concentration</term>
<term>Central research division</term>
<term>Cephalosporin esters</term>
<term>Chem</term>
<term>Chemical compounds</term>
<term>Chemical descriptors</term>
<term>Chlorinated alkylbenzenes</term>
<term>Chromatographic retention indices</term>
<term>Clogp algorithm</term>
<term>Cluster analysis</term>
<term>Coefficient</term>
<term>Color coding</term>
<term>Color plates</term>
<term>Compound</term>
<term>Computer graphics</term>
<term>Conformation</term>
<term>Conformational</term>
<term>Conformational analysis</term>
<term>Conformational energies</term>
<term>Conformational search program</term>
<term>Conformers</term>
<term>Connectivity</term>
<term>Connectivity index</term>
<term>Contaminant concentration</term>
<term>Correlation analysis</term>
<term>Corresponding atoms</term>
<term>Crystal structure</term>
<term>Crystalline symmetry</term>
<term>Crystallographic studies</term>
<term>Data base</term>
<term>Deeper understanding</term>
<term>Depolarizing activity</term>
<term>Derivative</term>
<term>Descriptor</term>
<term>Diazepam receptor</term>
<term>Difference spectra</term>
<term>Different features</term>
<term>Different types</term>
<term>Diffraction analysis</term>
<term>Diffraction study</term>
<term>Diphenylmethane carbon</term>
<term>Distribution coefficients</term>
<term>Dohme research laboratories</term>
<term>Drug design</term>
<term>Dual grid</term>
<term>Dynamics structure</term>
<term>Edulinine analogues</term>
<term>Efficient algorithm</term>
<term>Electronic parameter</term>
<term>Electronic parameters</term>
<term>Electronwithdrawing power</term>
<term>Electrostatic interactions</term>
<term>Electrostatic recognition</term>
<term>Energy conformations</term>
<term>Energy conformers</term>
<term>Energy difference</term>
<term>Energy minimization</term>
<term>Enteric bacteria</term>
<term>Enzyme aromatase</term>
<term>Enzyme inhibitors</term>
<term>Enzymelinhibitor complexes</term>
<term>Enzymes aromatase</term>
<term>Estuarine organisms</term>
<term>Federal republic</term>
<term>Fine chemicals directory</term>
<term>Free base</term>
<term>Functional groups</term>
<term>General form</term>
<term>Gibbs energy</term>
<term>Good agreement</term>
<term>Graphical display</term>
<term>Graphics</term>
<term>Grid</term>
<term>Herbicidal phenylureas</term>
<term>Hexadecane</term>
<term>Human erythrocyte</term>
<term>Human leukocyte elastase</term>
<term>Human renin</term>
<term>Hydrophilic zone</term>
<term>Hydrophobic</term>
<term>Hydrophobic factor</term>
<term>Hydrophobic pocket</term>
<term>Hydrophobicity</term>
<term>Hypolipidemic activity</term>
<term>Icso</term>
<term>Imidazolinone herbicides</term>
<term>Imidazolinone ring</term>
<term>Inactivation domain</term>
<term>Inactive compounds</term>
<term>Inhibition</term>
<term>Inhibitor</term>
<term>Inhibitory activity</term>
<term>Izumi strains</term>
<term>Laevis embryos</term>
<term>Lewis lung carcinoma</term>
<term>Life span</term>
<term>Ligand</term>
<term>Linear regression equations</term>
<term>Lipophilic</term>
<term>Lipophilic zone</term>
<term>Lipophilicity</term>
<term>Liquid chromatography</term>
<term>Local density charge</term>
<term>Logarithm</term>
<term>Logk</term>
<term>Logp</term>
<term>Logp values</term>
<term>Lone electron pair</term>
<term>Lyase</term>
<term>Lysozyme substrate</term>
<term>Main features</term>
<term>Major approaches</term>
<term>Medicinal chemical research</term>
<term>Medicinal chemistry</term>
<term>Methyl ethers</term>
<term>Methyl group</term>
<term>Methyl groups</term>
<term>Michaelis inhibition</term>
<term>Minimum energy conformation</term>
<term>Minimum energy conformations</term>
<term>Modeling</term>
<term>Modeling study</term>
<term>Moiety</term>
<term>Molar</term>
<term>Molar concentration</term>
<term>Molar refractivity</term>
<term>Molecular</term>
<term>Molecular charge descriptors</term>
<term>Molecular connectivity indices</term>
<term>Molecular dynamics method</term>
<term>Molecular graph</term>
<term>Molecular graphics</term>
<term>Molecular mechanics</term>
<term>Molecular mechanics calculations</term>
<term>Molecular modeling</term>
<term>Molecular modeling studies</term>
<term>Molecular orbitals</term>
<term>Molecular sructures</term>
<term>Molecular structures</term>
<term>Molecular surface</term>
<term>Molecular surfaces</term>
<term>Molecular weight</term>
<term>Molecule</term>
<term>Mongrel dogs</term>
<term>Mosquito larvae</term>
<term>Multivariate analysis</term>
<term>Mutagenicity</term>
<term>Narrow cleft</term>
<term>Natural substrates</term>
<term>Negative logarithm</term>
<term>Nephotettix cincticeps</term>
<term>Neural network</term>
<term>Nitrogen atom</term>
<term>Nitrogen atoms</term>
<term>Nucleophilic superdelocalizability</term>
<term>Opioid peptides</term>
<term>Optimized structures</term>
<term>Organic matter</term>
<term>Organic solutes</term>
<term>Organische chemie</term>
<term>Orotic acid</term>
<term>Ortho substituents</term>
<term>Oxygen atoms</term>
<term>Parabolic</term>
<term>Parameter</term>
<term>Paris cedex</term>
<term>Partition</term>
<term>Partition coefficient</term>
<term>Partition coefficients</term>
<term>Partition function</term>
<term>Pattern recognition</term>
<term>Peptide</term>
<term>Pharm</term>
<term>Pharmaceutical products division</term>
<term>Pharmacophore</term>
<term>Pharmacophore model</term>
<term>Phase hplc</term>
<term>Phenyl</term>
<term>Phenyl ring</term>
<term>Phenyl rings</term>
<term>Physical chemistry</term>
<term>Physicochemical</term>
<term>Physicochemical properties</term>
<term>Picrotoxinin</term>
<term>Picrotoxinin receptor</term>
<term>Place jussieu</term>
<term>Polychlorinated biphenyls</term>
<term>Porcine pepsinogen</term>
<term>Porfiromycin</term>
<term>Potential energy surfaces</term>
<term>Principal component analysis</term>
<term>Principal components</term>
<term>Prorenin</term>
<term>Protein sequence analysis</term>
<term>Protein structure prediction</term>
<term>Protein surfaces</term>
<term>Purine</term>
<term>Purine ring</term>
<term>Qsar</term>
<term>Qsar study</term>
<term>Qualitative model</term>
<term>Quant</term>
<term>Quantitative analysis</term>
<term>Quantitative relationship models</term>
<term>Quantitative relationship studies</term>
<term>Quantitative relationships</term>
<term>Quantitative studies</term>
<term>Receptor</term>
<term>Receptor binding affinity</term>
<term>Receptor site</term>
<term>Refractivity</term>
<term>Regression</term>
<term>Regression analysis</term>
<term>Regression equation</term>
<term>Regression equations</term>
<term>Relat</term>
<term>Relative activities</term>
<term>Renin</term>
<term>Resonance effect</term>
<term>Retention factor</term>
<term>Ring systems</term>
<term>Salmonella</term>
<term>Salmonella typhimurium</term>
<term>Saskatchewan saskatoon</term>
<term>Second order rate</term>
<term>Selectivity</term>
<term>Separate equations</term>
<term>Serine protease</term>
<term>Serotonin</term>
<term>Serotonin receptor</term>
<term>Side chain</term>
<term>Significant correlation</term>
<term>Significant correlations</term>
<term>Significant equation</term>
<term>Significant parabolic regression equation</term>
<term>Significant parabolic regression equations</term>
<term>Significant regression equation</term>
<term>Smooth surface</term>
<term>Solid line</term>
<term>Solid solutes</term>
<term>Solubility</term>
<term>Solute</term>
<term>Solute pairs</term>
<term>Southern california</term>
<term>Space curve</term>
<term>Specific receptor ligands</term>
<term>Square deviation</term>
<term>Stable conformers</term>
<term>Staphylococcus aureus</term>
<term>Steric</term>
<term>Steric effects</term>
<term>Steric parameter</term>
<term>Sterimol steric parameters</term>
<term>Structural basis</term>
<term>Structural modifications</term>
<term>Structural requirements</term>
<term>Structure evaluation</term>
<term>Structure prediction</term>
<term>Substituent</term>
<term>Substituents</term>
<term>Substitution pattern</term>
<term>Substrate binding cleft</term>
<term>Substructural descriptors</term>
<term>Substructure</term>
<term>Substructure systems</term>
<term>Superimposition</term>
<term>Superoxide dismutase</term>
<term>Superposition</term>
<term>Surface neighborhood</term>
<term>Symmetric objects</term>
<term>Symptomatic activities</term>
<term>Target receptor</term>
<term>Test compound</term>
<term>Test compounds</term>
<term>Test organisms</term>
<term>Topical application</term>
<term>Topological</term>
<term>Torsion angles</term>
<term>Total concentration</term>
<term>Toxicity</term>
<term>Toxicity values</term>
<term>Trapidil derivatives</term>
<term>Various properties</term>
<term>Various substituents</term>
<term>Wads volume</term>
<term>Water solubility</term>
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