(Q51031564)

27 March 2018

title

Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis. (English)

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27 March 2018

Quantitative Structure–Property Relationship

main subject

bibliometrics

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1

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27 March 2018

author name string

Jianxin Hu

series ordinal

2

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27 March 2018

Yuh-Shan Ho

series ordinal

3

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27 March 2018

publication date

10 September 2014

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27 March 2018

published in

Molecular Informatics

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27 March 2018

volume

33

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27 March 2018

issue

10

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27 March 2018

page(s)

655-668

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27 March 2018

Chem-bioinformatics: comparative QSAR at the interface between chemistry and biology

cites work

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Alternative methods to safety studies in experimental animals: role in the risk assessment of chemicals under the new European Chemicals Legislation (REACH).

21 January 2018

1 reference

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The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201300180

Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201300180

A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES.

21 January 2018

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Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201300180

An electrotopological-state index for atoms in molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Computation of molecular volume

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

PLS-regression: a basic tool of chemometrics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships

21 January 2018

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Random forest: a classification and regression tool for compound classification and QSAR modeling

21 January 2018

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21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201300180

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

21 January 2018

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https://api.crossref.org/works/10.1002%2FMINF.201300180

Principles of QSAR models validation: internal and external

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

The most frequently cited adsorption research articles in the Science Citation Index (Expanded).

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

The top-cited research works in the Science Citation Index Expanded

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Citation Indexing for Studying Science

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

The Journal of Chemical Documentation and the Journal of Chemical Information and Computer Sciences: publication and citation statistics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

The Journal of Computer-Aided Molecular Design: a bibliometric note.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Searching for intellectual turning points: progressive knowledge domain visualization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Quantitative structure-antitumor activity relationships of camptothecin analogues: cluster analysis and genetic algorithm-based studies

21 January 2018

1 reference

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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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

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

21 January 2018

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Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure-activity relationships.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

GA strategy for variable selection in QSAR studies: application of GA-based region selection to a 3D-QSAR study of acetylcholinesterase inhibitors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Volume learning algorithm artificial neural networks for 3D QSAR studies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Validation of QSAR models for legislative purposes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Top-cited articles in environmental sciences: merits and demerits of citation analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

History and evolution of the pharmacophore concept in computer-aided drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Current mathematical methods used in QSAR/QSPR studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

QSAR study of 1,4-dihydropyridine calcium channel antagonists based on gene expression programming.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Local lazy regression: making use of the neighborhood to improve QSAR predictions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Prediction of fungicidal activities of rice blast disease based on least-squares support vector machines and project pursuit regression.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Current state and perspectives of 3D-QSAR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

De novo design and synthesis of HIV-1 integrase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

College Libraries and Chemical Education

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Quantitative structure-activity relationship analysis of phenolic antioxidants

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

An index to quantify an individual's scientific research output

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Mapping of drinking water research: a bibliometric analysis of research output during 1992-2011.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

A historical review and bibliometric analysis of research on estuary pollution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

A Statistical View of Some Chemometrics Regression Tools

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Application of quantitative structure-toxicity relationships for the comparison of the cytotoxicity of 14 p-benzoquinone congeners in primary cultured rat hepatocytes versus PC12 cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Trends in research on global climate change: A Science Citation Index Expanded-based analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201300180

Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin,

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

MULTIPLE AUTHORSHIP TRENDS IN SCIENTIFIC PAPERS

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

V.—On the Connection between Chemical Constitution and Physiological Action. Part. I.—On the Physiological Action of the Salts of the Ammonium Bases, derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

Independent research of China in Science Citation Index Expanded during 1980-2011

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

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

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

QSAR applicabilty domain estimation by projection of the training set descriptor space: a review

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

Quantum-Chemical Descriptors in QSAR/QSPR Studies

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

Quantitative Structure−Activity Relationship Models for Prediction of the Toxicity of Polybrominated Diphenyl Ether Congeners

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201300180

8 April 2023

Identifiers

DOI

10.1002/MINF.201300180

1 reference

27 March 2018

PubMed ID

27485301

1 reference

27 March 2018