(Q36876902)

English

A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models

scientific article published on September 2006

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

16 August 2017

A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models (English)

1 reference

Europe PubMed Central

16 August 2017

virtual screening

1 reference

based on heuristic

inferred from title

Alexander Tropsha

5

object named as

Alexander Tropsha

1 reference

Europe PubMed Central

16 August 2017

Alexander Golbraikh

2

object named as

Alexander Golbraikh

1 reference

Europe PubMed Central

16 August 2017

1

object named as

Shuxing Zhang

1 reference

Europe PubMed Central

16 August 2017

3

object named as

Scott Oloff

1 reference

Europe PubMed Central

16 August 2017

4

object named as

Harold Kohn

1 reference

Europe PubMed Central

16 August 2017

publication date

1 September 2006

1 reference

Europe PubMed Central

16 August 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

16 August 2017

46

1 reference

Europe PubMed Central

16 August 2017

5

1 reference

Europe PubMed Central

16 August 2017

1984-1995

1 reference

Europe PubMed Central

16 August 2017

Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

HIV-1 protease inhibitors: a comparative QSAR analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

Issues in representation of molecular structure the development of molecular connectivity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

Chem-bioinformatics and QSAR: a review of QSAR lacking positive hydrophobic terms

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

Chemoinformatics - similarity and diversity in chemical libraries

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

29 September 2017

Molecular connectivity. 4. Relations to biological activities

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

27 June 2018

Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Application of validated QSAR models of D1 dopaminergic antagonists for database mining

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Combinatorial QSAR of ambergris fragrance compounds.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

A novel QSAR approach for estimating toxicity of phenols.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Confidence interval estimators for parameters associated with quantitative structure-activity relationships.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536695

4 September 2018

Anticonvulsant properties of various acetylhydrazones, oxamoylhydrazones and semicarbazones derived from aromatic and unsaturated carbonyl compounds.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16995729

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and molecular modeling of 1-phenyl-1,2,3,4-tetrahydroisoquinolines and related 5,6,8,9-tetrahydro-13bH-dibenzo[a,h]quinolizines as D1 dopamine antagonists

1 reference

https://pubmed.ncbi.nlm.nih.gov/16995729

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

(Aryloxy)aryl semicarbazones and related compounds: a novel class of anticonvulsant agents possessing high activity in the maximal electroshock screen

1 reference

https://pubmed.ncbi.nlm.nih.gov/16995729

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Approaches to Measure Chemical Similarity– a Review

1 reference

https://opencitations.net/index/api/v1/citations/10.1002/QSAR.200330831

18 January 2024

Identifiers

10.1021/CI060132X

1 reference

Europe PubMed Central

16 August 2017

DBLP publication ID

journals/jcisd/ZhangGOKT06

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

16 August 2017

1 reference

Europe PubMed Central

16 August 2017

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q36876902&oldid=2088059630"