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Perspectives in QSAR: Computer chemistry and pattern recognition
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/chin.197513438openalex-snapshot
ChemInform Abstract: CLASSIFICATION OF PSYCHOTROPIC DRUGS AS SEDATIVES OR TRANQUILIZERS USING PATTERN RECOGNITION TECHNIQUES
inferredcites →https://doi.org/10.1002/chin.197909365openalex-snapshot
ChemInform Abstract: STRUCTURE‐ACTIVITY STUDY OF β‐ADRENERGIC AGENTS USING THE SIMCA METHOD OF PATTERN RECOGNITION
inferredcites →https://doi.org/10.1002/jps.2600570718openalex-snapshot
Structure-Activity Relations in an Imidazoline Series Prepared for Their Analgesic Properties
inferredcites →https://doi.org/10.1002/jps.2600690652openalex-snapshot
Computer assisted studies of chemical structure and biological function
inferredcites →https://doi.org/10.1002/qsar.19840030402openalex-snapshot
Multivariate structure‐activity relationships between data from a battery of biological tests and an ensemble of structure descriptors: The PLS method
inferredcites →https://doi.org/10.1002/qsar.19850040102openalex-snapshot
The Anesthetic Activity and Toxicity of Halogenated Ethyl Methyl Ethers, a Multivariate QSAR Modelled by PLS
inferredcites →https://doi.org/10.1002/qsar.19860050205openalex-snapshot
Chance Factors in Nonparametric Linear Discriminant Studies
inferredcites →https://doi.org/10.1007/978-3-642-93155-0openalex-snapshot
Pattern Recognition in Chemistry
inferredcites →https://doi.org/10.1016/0003-2670(86)80028-9openalex-snapshot
Partial least-squares regression: a tutorial
inferredcites →https://doi.org/10.1016/0263-7855(87)80004-8openalex-snapshot
Computer program suite for the calculation, storage and manipulation of molecular property and activity descriptors
inferredcites →https://doi.org/10.1016/0263-7855(87)80032-2openalex-snapshot
Molecular foundations of drug-receptor interaction
inferredcites →https://doi.org/10.1016/b978-0-12-060307-7.50010-9openalex-snapshot
Development and Application of New Steric Substituent Parameters in Drug Design
inferredcites →https://doi.org/10.1016/s0003-2670(00)84842-4openalex-snapshot
Disclose: an integrated set of multivariate display procedures for chemical and pharmaceutical data
inferredcites →https://doi.org/10.1021/ci60020a602openalex-snapshot
The Probability of Dichotomization by a Binary Linear Classifier as a Function of Training Set Population Distribution
inferredcites →https://doi.org/10.1021/ja00784a007openalex-snapshot
Pattern recognition. II. Linear and nonlinear methods for displaying chemical data
inferredcites →https://doi.org/10.1021/ja00834a032openalex-snapshot
Classification of psychotropic drugs as sedatives or tranquilizers using pattern recognition techniques
inferredcites →https://doi.org/10.1021/ja00901a033openalex-snapshot
The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients
inferredcites →https://doi.org/10.1021/jm00175a005openalex-snapshot
Adaptive least-squares method applied to structure-activity correlation of hypotensive N-alkyl-N''-cyano-N'-pyridylguanidines
inferredcites →https://doi.org/10.1021/jm00186a032openalex-snapshot
Rational selection of test series. 1. Principal component method combined with multidimensional mapping
inferredcites →https://doi.org/10.1021/jm00191a005openalex-snapshot
Multivariate analysis and quantitative structure-activity relationships. Inhibition of dihydrofolate reductase and thymidylate synthetase by quinazolines
inferredcites →https://doi.org/10.1021/jm00196a017openalex-snapshot
Chance factors in studies of quantitative structure-activity relationships
inferredcites →https://doi.org/10.1021/jm00207a015openalex-snapshot
Structure-activity study of .beta.-adrenergic agents using the SIMCA method of pattern recognition
inferredcites →https://doi.org/10.1021/jm00208a001openalex-snapshot
A structure-carcinogenicity study of 4-nitroquinoline 1-oxides using the SIMCA method of pattern recognition
inferredcites →https://doi.org/10.1021/jm00230a012openalex-snapshot
Theoretical model-based equations for the linear free energy relations of the biological activity of ionizable substances. 1. Equilibrium-controlled potency
inferredcites →https://doi.org/10.1021/jm00237a001openalex-snapshot
Relations between the biological and physicochemical properties of series of compounds
inferredcites →https://doi.org/10.1021/jm00250a008openalex-snapshot
Discriminant analysis of the relation between physical properties and the inhibition of monoamine oxidase by aminotetralins and aminoindans
inferredcites →https://doi.org/10.1021/jm00264a017openalex-snapshot
Study of structure-activity relation of a series of diphenylaminopropanols by factor analysis
inferredcites →https://doi.org/10.1021/jm00269a004openalex-snapshot
Strategy in drug design. Cluster anlysis as an aid in the selection of substituents
inferredcites →https://doi.org/10.1021/jm00290a004openalex-snapshot
Interdependence between physical parameters and selection of substituent groups for correlation studies
inferredcites →https://doi.org/10.1038/194178b0openalex-snapshot
Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
inferredcites →https://doi.org/10.1073/pnas.53.5.952openalex-snapshot
The action of anesthetics on excitable membranes: a quantum-chemical analysis.
inferredcites →https://doi.org/10.1073/pnas.54.1.258openalex-snapshot
A relationship between the hallucinogenic activity of drugs and their electronic configuration.
inferredcites →https://doi.org/10.1248/cpb.12.1264openalex-snapshot
Electronic Structure and Antibacterial Activity of Nitrofuran Derivatives
inferredcites →https://doi.org/10.1515/9783112706992openalex-snapshot
Theoretical Drug Design Methods
inferredcites →https://doi.org/10.2307/2531266openalex-snapshot
Theory and Applications of Correspondence Analysis.
inferredcites →https://doi.org/10.3891/acta.chem.scand.40b-0135openalex-snapshot
The Prediction of Bradykinin Potentiating Potency of Pentapeptides. An Example of a Peptide Quantitative Structure-activity Relationship.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470567623.ch1openalex-snapshot
A History of the Development of Data Mining in Pharmaceutical Research
inferred← citeshttps://doi.org/10.1002/9783527615674.ch5openalex-snapshot
Neural Networks and Expert Systems in Molecular Design
inferred← citeshttps://doi.org/10.1002/cem.1180040504openalex-snapshot
U. K. usage of chemometrics and artificial intelligence in QSAR analysis
inferred← citeshttps://doi.org/10.1002/cem.1180070402openalex-snapshot
Non‐linear mapping for structure‐activity and structure‐property modelling
inferred← citeshttps://doi.org/10.1002/ps.2780270309openalex-snapshot
Multivariate quantitative structure‐activity relationship (QSAR) methods which may be applied to pesticide research
inferred← citeshttps://doi.org/10.1002/qsar.19890080205openalex-snapshot
Corchop – an Interactive Routine for the Dimension Reduction of Large QSAR Data Sets
inferred← citeshttps://doi.org/10.1002/qsar.19900090206openalex-snapshot
Multivariate Techniques for Parameter Selection and Data Analysis Exemplified by a Study of Pyrethroid Neurotoxicity
inferred← citeshttps://doi.org/10.1002/qsar.19910100103openalex-snapshot
An Application of Unsupervised Neural Network Methodology Kohonen Topology‐Preserving Mapping to QSAR Analysis
inferred← citeshttps://doi.org/10.1007/978-1-349-12973-7_9openalex-snapshot
Multivariate QSAR and Computational Chemistry: A Novel Receptor Model of the D1 Agonist Binding Site
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_8openalex-snapshot
Neural networks in the search for similarity and structure — activity
inferred← citeshttps://doi.org/10.1007/978-981-16-5180-9_1openalex-snapshot
History and Present Scenario of Computers in Pharmaceutical Research and Development
inferred← citeshttps://doi.org/10.1007/bf00125944openalex-snapshot
Applications of rule-induction in the derivation of quantitative structure-activity relationships
inferred← citeshttps://doi.org/10.1007/bf01590995openalex-snapshot
Pattern recognition display methods for the analysis of computed molecular properties
inferred← citeshttps://doi.org/10.1016/0006-2952(92)90095-zopenalex-snapshot
Quantitative structure-metabolism relationships for substituted benzoic acids in the rat
inferred← citeshttps://doi.org/10.1016/0076-6879(91)03032-copenalex-snapshot
[30] Pattern recognition methods in rational drug design
inferred← citeshttps://doi.org/10.1016/0263-7855(91)85008-mopenalex-snapshot
Novel method for the display of multivariate data using neural networks
inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00023-8openalex-snapshot
Quantitative Approaches to Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12341-8openalex-snapshot
Empirical and Physics-Based Calculations of Physical–Chemical Properties
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00058-3openalex-snapshot
Empirical and physics-based calculations of physical-chemical properties
inferred← citeshttps://doi.org/10.1016/b978-012213815-7/50008-xopenalex-snapshot
Multivariate Data Display Using Neural Networks
inferred← citeshttps://doi.org/10.1016/b978-012744481-9/50026-xopenalex-snapshot
QUANTITATIVE APPROACHES TO STRUCTURE–ACTIVITY RELATIONSHIPS
inferred← citeshttps://doi.org/10.1016/s0079-6107(98)00026-1openalex-snapshot
Artificial neural networks for computer-based molecular design
inferred← citeshttps://doi.org/10.1016/s0263-7855(96)00041-0openalex-snapshot
The Inhibition of α-chymotrypsin predicted using theoretically derived molecular properties
inferred← citeshttps://doi.org/10.1021/ci020020fopenalex-snapshot
The Nonpolar Resonance Effects and the Non-Hammett Behaviors
inferred← citeshttps://doi.org/10.1021/jm3003069openalex-snapshot
Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
inferred← citeshttps://doi.org/10.1021/jp306282mopenalex-snapshot
Experimental and Theoretical Approach to Aggregation Behavior of New Di-N-Oxide Surfactants in an Aquatic Environment
inferred← citeshttps://doi.org/10.1038/nbt0898-748openalex-snapshot
Computer-assisted rational design of immunosuppressive compounds
inferred← citeshttps://doi.org/10.1080/10629360802085041openalex-snapshot
QSAR studies using the parashift system†
inferred← citeshttps://doi.org/10.1080/10629369408029901openalex-snapshot
Multivariate Qsar Analysis of a Skin Sensitization Database
inferred← citeshttps://doi.org/10.1177/026119299502300315openalex-snapshot
The Integrated Use of Alternative Approaches for Predicting Toxic Hazard
inferred← citeshttps://doi.org/10.2174/13895575113136660104openalex-snapshot
Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review
inferred← citeshttps://doi.org/10.2174/156802610790232260openalex-snapshot
3D-QSAR in Drug Design - A Review
inferred← citeshttps://doi.org/10.25004/ijpsdr.2009.010303openalex-snapshot
QUANTITATIVE STRUCTURE PHARMACOKINETIC RELATIONSHIP USING ARTIFICIAL NEURAL NETWORK: A REVIEW
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