3D-QSAR illusions (Q81437679)

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8 January 2020

title

3D-QSAR illusions (English)

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8 January 2020

Arthur M Doweyko

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8 January 2020

publication date

1 July 2004

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15729857%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

8 January 2020

published in

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8 January 2020

volume

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8 January 2020

issue

7-9

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8 January 2020

page(s)

587-596

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8 January 2020

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12 December 2020

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12 December 2020

3D-QSAR CoMFA study on imidazolinergic I(2) ligands: a significant model through a combined exploration of structural diversity and methodology

1 reference

12 December 2020

Rational selection of training and test sets for the development of validated QSAR models

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12 December 2020

Pharmacophore mapping of a series of 2,4-diamino-5-deazapteridine inhibitors of Mycobacterium avium complex dihydrofolate reductase

1 reference

12 December 2020

Three-dimensional quantitative structure-activity relationship of 1,4-dihydropyridines as antitubercular agents

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12 December 2020

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

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12 December 2020

A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES.

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12 December 2020

Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset

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12 December 2020

Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

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12 December 2020

Antitumor agents. 199. Three-dimensional quantitative structure-activity relationship study of the colchicine binding site ligands using comparative molecular field analysis

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12 December 2020

Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes

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12 December 2020

CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site

1 reference

12 December 2020

Synthesis, ligand binding, and QSAR (CoMFA and classical) study of 3 beta-(3'-substituted phenyl)-, 3 beta-(4'-substituted phenyl)-, and 3 beta-(3',4'-disubstituted phenyl)tropane-2 beta-carboxylic acid methyl esters

1 reference

12 December 2020

A 3D QSAR study on a set of dopamine D4 receptor antagonists

1 reference

12 December 2020

4D-QSAR analysis of a set of ecdysteroids and a comparison to CoMFA modeling

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12 December 2020

Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-ba

1 reference

12 December 2020

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), [...]

1 reference

12 December 2020

A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides.

1 reference

12 December 2020

Antiulcer agents. 6. Analysis of the in vitro biochemical and in vivo gastric antisecretory activity of substituted imidazo[1,2-a]pyridines and related analogues using comparative molecular field analysis and hypothetical active site lattice methodo

1 reference

12 December 2020

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1 reference

12 December 2020

Self-organizing molecular field analysis: a tool for structure-activity studies

1 reference

12 December 2020

Refinement of Catalyst hypotheses using simplex optimisation

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12 December 2020

Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application

1 reference

12 December 2020

Four-dimensional quantitative structure-activity relationship analysis of a series of interphenylene 7-oxabicycloheptane oxazole thromboxane A2 receptor antagonists

1 reference

12 December 2020

The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules

1 reference

12 December 2020

3D-QSAR studies on thieno[3,2-d]pyrimidines as phosphodiesterase IV inhibitors

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12 December 2020

Pharmacophore discovery--lessons learned

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12 December 2020

Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.

1 reference

12 December 2020

Antifungal agents. 10. New derivatives of 1-[(aryl)[4-aryl-1H-pyrrol-3-yl]methyl]-1H-imidazole, synthesis, anti-candida activity, and quantitative structure-analysis relationship studies

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12 December 2020

Three-dimensional quantitative similarity-activity relationships (3D QSiAR) from SEAL similarity matrices

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12 December 2020

Structure-activity relationships of the antimalarial agent artemisinin. 6. The development of predictive in vitro potency models using CoMFA and HQSAR methodologies

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12 December 2020

Comparative molecular field analysis of anticoccidial triazines

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12 December 2020

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12 December 2020

Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches

1 reference

12 December 2020

Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA_GA).

1 reference

12 December 2020

EVA: a new theoretically based molecular descriptor for use in QSAR/QSPR analysis

1 reference

12 December 2020

Molecular Modeling of Azole Antifungal Agents Active againstCandida albicans. 1. A Comparative Molecular Field Analysis Study1

1 reference

12 December 2020

3D-QSAR using 'multiconformer' alignment: the use of HASL in the analysis of 5-HT1A thienopyrimidinone ligands

1 reference

12 December 2020

Comparison of 3D quantitative structure-activity relationship methods: analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis

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12 December 2020

Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models

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12 December 2020

10.1007/S10822-004-4068-0

Identifiers

DOI

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15729857%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

DBLP publication ID

journals/jcamd/Doweyko04

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DBLP Dataset 2021-01-02

28 January 2021

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15729857%20AND%20SRC:MED&resulttype=core&format=json