(Q37820219)

23 August 2017

2 references

29 June 2019

12 August 2020

Recent advances in fragment-based QSAR and multi-dimensional QSAR methods (English)

1 reference

quantitative structure-activity relationship

23 August 2017

1 reference

12 August 2020

Kyaw Zeyar Myint

1

1 reference

23 August 2017

Xiang-Qun Xie

series ordinal

2

1 reference

23 August 2017

language of work or name

English

0 references

publication date

8 October 2010

3 references

International Journal of Molecular Sciences

23 August 2017

29 June 2019

12 August 2020

3 references

23 August 2017

29 June 2019

12 August 2020

11

1 reference

23 August 2017

10

1 reference

23 August 2017

3846-3866

1 reference

Creative Commons Attribution 3.0 Unported

23 August 2017

2 references

29 June 2019

Fragment-based QSAR: perspectives in drug design

12 August 2020

0 references

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Computational chemistry approaches to drug discovery in signal transduction.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Data mining a small molecule drug screening representative subset from NIH PubChem

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Predictive QSAR modeling workflow, model applicability domains, and virtual screening

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

hERG classification model based on a combination of support vector machine method and GRIND descriptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Computational methods in developing quantitative structure-activity relationships (QSAR): a review

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Developing an antituberculosis compounds database and data mining in the search of a motif responsible for the activity of a diverse class of antituberculosis agents

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Quantitative structure-activity relationship methods: perspectives on drug discovery and toxicology

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Topomer CoMFA: a design methodology for rapid lead optimization

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Comparative QSAR in toxicology: examples from teratology and cancer chemotherapy of aniline mustards

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Quantitative structure-activity relationships and ecological risk assessment: an overview of predictive aquatic toxicology research

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Beta-triketone inhibitors of plant p-hydroxyphenylpyruvate dioxygenase: modeling and comparative molecular field analysis of their interactions

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

3D-QSAR studies on chromone derivatives as HIV-1 protease inhibitors: application of molecular field analysis

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Use of 3D QSAR models for database screening: a feasibility study.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Virtual screening for aryl hydrocarbon receptor binding prediction

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

3D-QSAR studies of arylpyrazole antagonists of cannabinoid receptor subtypes CB1 and CB2. A combined NMR and CoMFA approach

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Construction of 4D-QSAR models for use in the design of novel p38-MAPK inhibitors

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

5D-QSAR: the key for simulating induced fit?

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

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

1 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2996787

Molecular identification number for substructure searches

1 September 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

New molecular descriptors for 2D and 3D structures. Theory

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

Analytical molecular surface calculation

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS11103846

21 January 2018

1 reference

12 December 2020

Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies

1 reference

12 December 2020

Top-priority fragment QSAR approach in predicting pesticide aquatic toxicity

1 reference

12 December 2020

A comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of anthranilamide derivatives that are multidrug resistance modulators

1 reference

12 December 2020

Methods for applying the quantitative structure-activity relationship paradigm

1 reference

12 December 2020

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: a comparative 3D QSAR study in a series of steroids

1 reference

12 December 2020

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

1 reference

12 December 2020

3D QSAR studies on 3,4-dihydroquinazolines as T-type calcium channel blocker by comparative molecular similarity indices analysis (CoMSIA)

1 reference

12 December 2020

2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors

1 reference

12 December 2020

Identifiers

DOI

10.3390/IJMS11103846

1 reference

23 August 2017

1 reference

23 August 2017

PubMed publication ID

21152304

1 reference