Bayesian Methods in Virtual Screening and Chemical Biology (Q37788601)

23 August 2017

title

Bayesian methods in virtual screening and chemical biology (English)

1 reference

23 August 2017

Bayesian Methods in Virtual Screening and Chemical Biology (English)

1 reference

Crossref

DOI

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

Andreas Bender

1 reference

23 August 2017

language of work or name

English

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publication date

1 January 2011

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full work available at URL

23 August 2017

http://link.springer.com/content/pdf/10.1007/978-1-60761-839-3_7

1 reference

Crossref

DOI

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Methods in Molecular Biology

12 July 2024

published in

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23 August 2017

volume

672

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23 August 2017

page(s)

175-196

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An Essay towards Solving a Problem in the Doctrine of Chances. By the Late Rev. Mr. Bayes, F. R. S. Communicated by Mr. Price, in a Letter to John Canton, A. M. F. R. S

23 August 2017

cites work

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

On the Optimality of the Simple Bayesian Classifier under Zero-One Loss

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

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

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Mining a chemical database for fragment co-occurrence: discovery of "chemical clichés".

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Bayesian versus Frequentist statistical modeling: a debate for hit selection from HTS campaigns

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Choice of designs and doses for early phase trials

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Evaluating statistics in clinical trials: making the unintelligible intelligible

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Bayesian modeling in virtual high throughput screening

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Evaluation of machine-learning methods for ligand-based virtual screening

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculations

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1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

A probabilistic approach to high throughput drug discovery

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1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Improving structure-based virtual screening by multivariate analysis of scoring data

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

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

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D).

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

A comparative study on feature selection methods for drug discovery.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Deriving knowledge through data mining high-throughput screening data

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Bayesian Model Selection and Model Averaging

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Bayesian model averaging for ligand discovery.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

McMaster University data-mining and docking competition: computational models on the catwalk

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

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

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

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

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

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

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

"Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Robust QSAR models using Bayesian regularized neural networks.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

The protein kinase complement of the human genome

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Chemical fragments as foundations for understanding target space and activity prediction.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Kinase inhibitor data modeling and de novo inhibitor design with fragment approaches

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Relating protein pharmacology by ligand chemistry

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Ligand-protein docking: cancer research at the interface between biology and chemistry

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

A critical assessment of docking programs and scoring functions

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Evaluation of binary QSAR models derived from LUDI and MOE scoring functions for structure based virtual screening.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Finding more needles in the haystack: A simple and efficient method for improving high-throughput docking results.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Surrogate docking: structure-based virtual screening at high throughput speed

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Integrating high-content screening and ligand-target prediction to identify mechanism of action

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

Keynote review: in vitro safety pharmacology profiling: an essential tool for successful drug development

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

A Bayesian molecular interaction library.

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

A fragment library based on Gaussian mixtures predicting favorable molecular interactions

12 July 2024

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-839-3_7

12 July 2024

Identifiers

DOI

1 reference

23 August 2017

1 reference