(Q27902276)

Creative Commons Attribution 4.0 International

volume

6

0 references

issue

1

0 references

copyright license

start time

23 September 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

The Molecule Cloud - compact visualization of large collections of molecules

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Open Babel: An open chemical toolbox

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

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

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

QSAR applicabilty domain estimation by projection of the training set descriptor space: a review

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Activity cliffs: facts or artifacts?

24 May 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Mining collections of compounds with Screening Assistant 2

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Introducing the LASSO graph for compound data set representation and structure-activity relationship analysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

SARANEA: a freely available program to mine structure-activity and structure-selectivity relationship information in compound data sets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Computational mapping tools for drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Reoptimization of MDL keys for use in drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

HiTSEE KNIME: a visualization tool for hit selection and analysis in high-throughput screening experiments for the KNIME platform

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

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

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4186979

Visual Analysis of Biological Activity Data with Scaffold Hunter

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

Chemical landscape analysis with the OpenTox framework

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

Spline-fitting with a genetic algorithm: a method for developing classification structure-activity relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

A Nonlinear Mapping for Data Structure Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

Chemical space visualization using ViFrame

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-014-0041-7

A Novel Visualization Approach for Data-Mining-Related Classification

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0041-7

Visualizing association rules with interactive mosaic plots

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0041-7

Radial clustergrams: visualizing the aggregate properties of hierarchical clusters

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0041-7

The WEKA data mining software: an update

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0041-7

Molecular Property eXplorer: a novel approach to visualizing SAR using tree-maps and heatmaps

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-014-0041-7

10.1186/S13321-014-0041-7

2 January 2022

Identifiers

DOI

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

626515

DBLP publication ID

journals/jcheminf/GutleinKK14

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-014-0041-7

OpenCitations bibliographic resource ID

626515

1 reference