CheS-Mapper - Chemical Space Mapping and Visualization in 3D. - Wikidata - wikimedia - TriplyDB

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

http://www.wikidata.org/entity/Q42536207

about

Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties.How frequently do clusters occur in hierarchical clustering analysis? A graph theoretical approach to studying ties in proximity Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability CheS-Mapper 2.0 for visual validation of (Q)SAR models Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods Web-based 3D-visualization of the DrugBank chemical space Open source molecular modeling Visual Analysis of Biological Activity Data with Scaffold Hunter.Progress in visual representations of chemical space.Design and synthesis of analogues of natural products.Progress in the Visualization and Mining of Chemical and Target Spaces.Computational Search for Possible Mechanisms of 4-Thiazolidinones Anticancer Activity: The Power of Visualization.ChemTreeMap: an interactive map of biochemical similarity in molecular datasets.Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.aBiofilm: a resource of anti-biofilm agents and their potential implications in targeting antibiotic drug resistance.HIVprotI: an integrated web based platform for prediction and design of HIV proteins inhibitors.Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions.

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P2860

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

http://www.wikidata.org/entity/Q42536207

description

2012 nî lūn-bûn

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2012年の論文

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name

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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type

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CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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prefLabel

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

@en

CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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Journal of Cheminformatics

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CheS-Mapper - Chemical Space Mapping and Visualization in 3D.

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P2093

Andreas Karwath

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Martin Gütlein

http://www.w3.org/2001/XMLSchema#string

Stefan Kramer

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P2860

Open Babel: An open chemical toolbox

Bioclipse 2: a scriptable integration platform for the life sciences

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

Collaborative development of predictive toxicology applications.

AMBIT RESTful web services: an implementation of the OpenTox application programming interface.

Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rules.

Defining clusters from a hierarchical cluster tree: the Dynamic Tree Cut package for R.

Advanced biological and chemical discovery (ABCD): centralizing discovery knowledge in an inherently decentralized world.

ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties.

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7

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scholarly article

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10.1186/1758-2946-4-7

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1

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4

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Andreas Karwath

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2012-03-17T00:00:00Z

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221712873

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1008118417

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22424447

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3331825

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