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GRID/GOLPE 3D Quantitative Structure−Activity Relationship Study on a Set of Benzamides and Naphthamides, with Affinity for the Dopamine D3 Receptor Subtype
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Multivariate characterization of molecules for QSAR analysis
inferredcites →https://doi.org/10.1002/cem.1180060604openalex-snapshot
Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)
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Predictive ability of regression models. Part II: Selection of the best predictive PLS model
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Validation of the general purpose tripos 5.2 force field
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Partial optimization of large molecules and clusters
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Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
inferredcites →https://doi.org/10.1002/qsar.19930120103openalex-snapshot
Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D‐QSAR Problems
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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
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Partial least-squares regression: a tutorial
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Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
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Chemometrics for experimental design
inferredcites →https://doi.org/10.1016/0960-894x(96)00231-4openalex-snapshot
4-bromo-1-methoxy-N-[2-(4-aryl-1-piperazinyl)ethyl]-2-naphthalenecarboxamides: Selective dopamine D3 receptor partial agonists
inferredcites →https://doi.org/10.1021/ja00209a010openalex-snapshot
Manganese(I)-induced 1,6-demethanation across the carbon-carbon triple bond of linear alkynes in the gas phase. A case for the generation of manganese cycloalkynes?
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00042a012openalex-snapshot
Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/jm960345lopenalex-snapshot
Affinity for Dopamine D2, D3, and D4Receptors of 2-Aminotetralins. Relevance of D2Agonist Binding for Determination of Receptor Subtype Selectivity
inferredcites →https://doi.org/10.1080/00401706.1978.10489693openalex-snapshot
Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models
inferredcites →https://doi.org/10.1080/00401706.1984.10487928openalex-snapshot
Experimental Design: Review and Comment
inferredcites →https://doi.org/10.1097/00001756-199501000-00026openalex-snapshot
A functional test identifies dopamine agonists selective for D3 versus D2 receptors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Modelling Structure‐Activity Relationships
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Conformational analysis: A new approach by means of chemometrics
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Molecular interaction fields in drug discovery: recent advances and future perspectives
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Chemometric Detection of Binding Sites of 7TM Receptors
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Quantitative structure – activity relationship studies on membrane receptors inhibition by antipsychotic drugs. Application to schizophrenia treatment
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Three-Dimensional Quantitative Structure–Activity Relationship: The State of the Art
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Quantitative Structure–Activity Relationships
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Molecular modeling study of 4-phenylpiperazine and 4-phenyl-1,2,3,6-tetrahydropyridine derivatives: A new step towards the design of high-affinity 5-HT1A ligands
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Current drug treatments targeting dopamine D3 receptor
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Glucocorticoid receptor interactions with glucocorticoids: evaluation by molecular modeling and functional analysis of glucocorticoid receptor mutants
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Dopaminergic Approaches to Antipsychotic Agents
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Return of D4Dopamine Receptor Antagonists in Drug Discovery
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Different Binding Modes of Structurally Diverse Ligands for Human D3DAR
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Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis
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Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine (L-745,870), and Clozapine
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Synthesis and Pharmacological Evaluation of Potent and Highly Selective D3 Receptor Ligands: Inhibition of Cocaine-Seeking Behavior and the Role of Dopamine D3/D2 Receptors
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Affinity and Selectivity of Matrix Metalloproteinase Inhibitors: A Chemometrical Study from the Perspective of Ligands and Proteins
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Multivariate Quantitative Structure–Pharmacokinetic Relationships (QSPKR) Analysis of Adenosine A1 Receptor Agonists in rat
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A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides
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3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi
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Chemical Modifications on 4-Arylpiperazine-Ethyl Carboxamide Derivatives Differentially Modulate Affinity for 5-HT1A, D4.2, and α 2A Receptors: Synthesis and In Vitro Radioligand Binding Studies
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The piperazine scaffold for novel drug discovery efforts: the evidence to date
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Bi- and Multilinear PLS Coupled to MIA-QSAR in the Prediction of Antifungal Activities of Some Benzothiazole Derivatives
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Lipophilicity in Drug Design: An Overview of Lipophilicity Descriptors in 3D-QSAR Studies
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Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design
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