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A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists

https://doi.org/10.1007/bf00125325
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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/qsar.19890080105openalex-snapshot
Principal Properties for Aromatic Substituents. A Multivariate Approach for Design in QSAR
inferredcites →https://doi.org/10.1002/qsar.19920110202openalex-snapshot
3D‐Quantitative Structure‐Activity Relationships: Description of Electronic Effects Directly from 3D Structures Using a GRID‐Comparative Molecular Field Analysis (CoMFA) Approach
inferredcites →https://doi.org/10.1002/qsar.2660110305openalex-snapshot
The Use of Computerized Molecular Structure Scanning and Principal Component Analysis to Calculate Molecular Descriptors for QSAR
inferredcites →https://doi.org/10.1007/978-94-011-1472-1_9openalex-snapshot
Multivariate data modeling of new steric, topological and CoMFA-derived substituent parameters
inferredcites →https://doi.org/10.1007/bf00117403openalex-snapshot
Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes
inferredcites →https://doi.org/10.1016/0196-9781(91)90198-xopenalex-snapshot
Theoretical amino acid descriptors. Application to bradykinin potentiating peptides
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/jm00390a003openalex-snapshot
Peptide quantitative structure-activity relationships, a multivariate approach
inferredcites →https://doi.org/10.1021/jo00008a028openalex-snapshot
Direct prediction of linear free energy substituent effects from 3D structures using comparative molecular field analysis. 1. Electronic effects of substituted benzoic acids
inferredcites →https://doi.org/10.1039/cs9740300273openalex-snapshot
Quantitative drug design
inferredcites →https://doi.org/10.1107/s0567740877010887openalex-snapshot
Conformational study of a methylating agent: the crystal structure of S-methyl- L -methionine chloride.HCl (vitamin U hydrochloride)
inferredcites →https://doi.org/10.1201/9781420071009openalex-snapshot
Quantitative Drug Design

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/(sici)1099-128x(199711/12)11:6<511::aid-cem488>3.0.co;2-wopenalex-snapshot
Multiway calibration in 3D QSAR
inferred← citeshttps://doi.org/10.1002/qsar.19960150205openalex-snapshot
A New Set of Principal Properties for Heteroaromatics Obtained by GRID
inferred← citeshttps://doi.org/10.1002/vjch.201900152openalex-snapshot
Insight prediction of receptor binding activity of a set of benzamide derivatives using hybrid QSAR models: GA‐MLR and GA‐SVR
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_2openalex-snapshot
Recent Progress in CoMFA Methodology and Related Techniques
inferred← citeshttps://doi.org/10.1007/978-3-662-03141-4_6openalex-snapshot
The Advantages of Using Rational Drug Design in Modern Drug Discovery: How to Integrate Computer-Aided Drug Design and Modern Biotechnology
inferred← citeshttps://doi.org/10.1016/s0003-2670(03)00468-9openalex-snapshot
Prediction of bioconcentration factor using genetic algorithm and artificial neural network
inferred← citeshttps://doi.org/10.1016/s0223-5234(97)83283-7openalex-snapshot
Quantitative structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. Analysis of serotonin 5-HT1A effects in vivo and in vitro via partial least squares regression
inferred← citeshttps://doi.org/10.1021/jm020919oopenalex-snapshot
Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs
inferred← citeshttps://doi.org/10.1021/jm9507035openalex-snapshot
Evolutionary Optimization in Quantitative Structure−Activity Relationship: An Application of Genetic Neural Networks
inferred← citeshttps://doi.org/10.1023/a:1007977010551openalex-snapshot
A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides
inferred← citeshttps://doi.org/10.1023/a:1008191129541openalex-snapshot
Refinement of Catalyst hypotheses using simplex optimisation
inferred← citeshttps://doi.org/10.1023/a:1017015028419openalex-snapshot
List of CoMFA references, 1993-1996
inferred← citeshttps://doi.org/10.1023/a:1017057332537openalex-snapshot
Recent progress in CoMFA methodology and related techniques
inferred← citeshttps://doi.org/10.1023/a:1022531531072openalex-snapshot
A 3D-QSAR Study of Analogs of (Z)-5-Decenyl Acetate, A Pheromone Component of the Turnip Moth, Agrotis segetum
inferred← citeshttps://doi.org/10.3389/fbinf.2026.1766339openalex-snapshot
Machine learning-based QSAR and molecular modeling of phytocompounds in Barleria buxifolia L. as a potential aldose reductase inhibitor
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