(Q33323614)

English

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

scientific article

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

25 July 2017

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening (English)

1 reference

Europe PubMed Central

25 July 2017

virtual screening

1 reference

based on heuristic

inferred from title

Alexander Tropsha

5

object named as

Alexander Tropsha

1 reference

Europe PubMed Central

25 July 2017

Alexander Golbraikh

4

object named as

Alexander Golbraikh

1 reference

Europe PubMed Central

25 July 2017

author name string

Jui-Hua Hsieh

1

1 reference

Europe PubMed Central

25 July 2017

Xiang S Wang

2

1 reference

Europe PubMed Central

25 July 2017

Denise Teotico

3

1 reference

Europe PubMed Central

25 July 2017

publication date

13 March 2008

1 reference

Europe PubMed Central

25 July 2017

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

25 July 2017

22

1 reference

Europe PubMed Central

25 July 2017

9

1 reference

Europe PubMed Central

25 July 2017

593-609

1 reference

Europe PubMed Central

25 July 2017

https://scigraph.springernature.com/pub.10.1007/s10822-008-9199-2

0 references

Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds

1 reference

https://api.crossref.org/works/10.1007%2FS10822-008-9199-2

21 January 2018

Structure-based virtual screening and biological evaluation of potent and selective ADAM12 inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Decoys for docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based virtual screening: an application to human topoisomerase II alpha.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput crystallography to enhance drug discovery

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative diseases

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Combinatorial QSAR modeling of P-glycoprotein substrates

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Critical assessment of the automated AutoDock as a new docking tool for virtual screening.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A novel structure-based virtual screening model for the hERG channel blockers

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A critical assessment of docking programs and scoring functions

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A high-throughput screen for aggregation-based inhibition in a large compound library.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

eHiTS: an innovative approach to the docking and scoring function problems.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An electrotopological-state index for atoms in molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Systems chemical biology

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput assays for promiscuous inhibitors.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based drug design of a novel family of PPARgamma partial agonists: virtual screening, X-ray crystallography, and in vitro/in vivo biological activities.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On evaluating molecular-docking methods for pose prediction and enrichment factors

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Combinatorial QSAR of ambergris fragrance compounds.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of potential glycogen kinase-3 inhibitors by structure based virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput crystallography for lead discovery in drug design.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Consensus scoring for ligand/protein interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Consensus scoring criteria for improving enrichment in virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative evaluation of 11 scoring functions for molecular docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of novel ligands for the Z-DNA binding protein by structure-based virtual screening.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

How does consensus scoring work for virtual library screening? An idealized computer experiment

1 reference

https://pubmed.ncbi.nlm.nih.gov/18338225

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

11 September 2021

Identifiers

10.1007/S10822-008-9199-2

1 reference

Europe PubMed Central

25 July 2017

DBLP publication ID

journals/jcamd/HsiehWTGT08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

25 July 2017

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=Q33323614&oldid=1510882547"