(Q36700190)

15 August 2017

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title

Evaluation of machine-learning methods for ligand-based virtual screening (English)

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15 August 2017

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4

Peter Willett

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15 August 2017

George Papadatos

3

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Robert F. Harrison

object named as

Robert F Harrison

2

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Nikolaus Stiefl

8

object named as

Nikolaus Stiefl

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Beining Chen

1

object named as

Beining Chen

1 reference

15 August 2017

6

Xiao Qing Lewell

1 reference

15 August 2017

David J Wood

5

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PubMed ID

17205373

15 August 2017

Paulette Greenidge

7

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PubMed ID

17205373

15 August 2017

Nikolaus Stiefl

8

1 reference

15 August 2017

5 January 2007

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Journal of Computer - Aided Molecular Design

15 August 2017

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15 August 2017

21

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15 August 2017

53-62

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15 August 2017

1-3

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https://scigraph.springernature.com/pub.10.1007/s10822-006-9096-5

15 August 2017

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cites work

Inhibition of the tyrosine kinase, Syk, analyzed by stepwise nonparametric regression

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-006-9096-5

New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-006-9096-5

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

21 January 2018

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12 December 2020

Determination and mapping of activity-specific descriptor value ranges for the identification of active compounds.

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12 December 2020

Computer-based de novo design of drug-like molecules

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12 December 2020

Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients

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12 December 2020

Combination of a naive Bayes classifier with consensus scoring improves enrichment of high-throughput docking results.

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12 December 2020

Do structurally similar molecules have similar biological activity?

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12 December 2020

Substructural analysis. Novel approach to the problem of drug design

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12 December 2020

Virtual screening using binary kernel discrimination: analysis of pesticide data

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12 December 2020

Virtual screening using binary kernel discrimination: effect of noisy training data and the optimization of performance

1 reference

12 December 2020

A statistical-heuristic methods for automated selection of drugs for screening

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12 December 2020

3D database searching in drug design

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12 December 2020

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12 December 2020

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up.

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12 December 2020

The Protein Data Bank

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12 December 2020

Lead hopping using SVM and 3D pharmacophore fingerprints.

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12 December 2020

SLASH: a program for analysing the functional groups in molecules

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12 December 2020

Generation of a focused set of GSK compounds biased toward ligand-gated ion-channel ligands.

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12 December 2020

Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers

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12 December 2020

Computer-aided selection of compounds for antitumor screening: validation of a statistical-heuristic method

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12 December 2020

Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures

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12 December 2020

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

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12 December 2020

Why do we need so many chemical similarity search methods?

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12 December 2020

Bio- and chemo-informatics beyond data management: crucial challenges and future opportunities

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12 December 2020

Potential drugs and nondrugs: prediction and identification of important structural features

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12 December 2020

Docking and scoring in virtual screening for drug discovery: methods and applications

1 reference

12 December 2020

Enrichment of extremely noisy high-throughput screening data using a naïve Bayes classifier

1 reference

12 December 2020

1 reference

12 December 2020

Integration of virtual and high-throughput screening

1 reference

12 December 2020

Searching for pharmacophoric patterns in databases of three-dimensional chemical structures

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12 December 2020

Modern agrochemical research: a missed opportunity for drug discovery?

1 reference

12 December 2020

Nonparametric regression applied to quantitative structure-activity relationships

1 reference

12 December 2020

Structural biology and drug discovery

1 reference

12 December 2020

Prediction of biological activity for high-throughput screening using binary kernel discrimination.

1 reference

12 December 2020

Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring

1 reference

12 December 2020

Selection of molecular fragment features for structure-activity studies in antitumor screening

1 reference

12 December 2020

Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance

1 reference

12 December 2020

In silico prediction of blood–brain barrier permeation

1 reference

12 December 2020

1 reference

12 December 2020

Classification of kinase inhibitors using a Bayesian model

1 reference

12 December 2020

Comparison of ranking methods for virtual screening in lead-discovery programs.

1 reference

12 December 2020

Chemical Similarity Searching

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI9800211

Approaches to Measure Chemical Similarity– a Review

12 September 2021

1 reference

COCI

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

10.1007/S10822-006-9096-5

18 January 2024

Identifiers

DOI

1 reference

journals/jcamd/ChenHP0WLGS07

15 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

17205373