(Q21092921)

23

National Institutes of Health

University of Cambridge

0 references

3

0 references

13

Oral Roberts University

0 references

6

0 references

2

0 references

19

0 references

12

0 references

Noel O'Boyle

1

University College Cork

0 references

Jonathan Alvarsson

5

0 references

Geoffrey R. Hutchison

10

0 references

Marcus D. Hanwell

9

0 references

Daniel M Lowe

16

0 references

Jérôme Pansanel

17

0 references

Karol M Langner

stated as

Karol M Langner

14

0 references

Robert M Hanson

8

stated as

Robert M Hanson

0 references

author name string

Samuel E Adams

4

University of Cambridge

0 references

Igor V Filippov

7

0 references

Craig A James

11

0 references

David C Lonie

15

0 references

Dmitry Pavlov

18

0 references

Adam L Tenderholt

21

University of Washington

0 references

Kevin J Theisen

Journal of Cheminformatics

22

0 references

language of work or name

English

0 references

publication date

2011

0 references

number of pages

16

0 references

published in

0 references

volume

3

0 references

page(s)

37

0 references

issue

1

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-3-37

0 references

cites work

CDK-Taverna: an open workflow environment for cheminformatics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Small Molecule Subgraph Detector (SMSD) toolkit

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Bioclipse 2: a scriptable integration platform for the life sciences

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Chemical Entities of Biological Interest: an update

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Bioclipse: an open source workbench for chemo- and bioinformatics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Chemical Name to Structure: OPSIN, an Open Source Solution

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

ChemDoodle Web Components: HTML5 toolkit for chemical graphics, interfaces, and informatics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

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

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Resource description framework technologies in chemistry

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

cclib: A library for package-independent computational chemistry algorithms

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

The Blue Obelisk-interoperability in chemical informatics

6 April 2017

objective of project or action

extends the cited work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

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

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

OrChem - An open source chemistry search engine for Oracle(R)

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

ChemicalTagger: A tool for semantic text-mining in chemistry

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Taverna: a tool for building and running workflows of services

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Confab - Systematic generation of diverse low-energy conformers

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

NMRShiftDB – compound identification and structure elucidation support through a free community-built web database

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Brunn: an open source laboratory information system for microplates with a graphical plate layout design process.

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Web service infrastructure for chemoinformatics.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Can open-source R&D reinvigorate drug research?

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Optimizing the use of open-source software applications in drug discovery.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Open-source software: not quite endsville.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

The case for open-source software in drug discovery.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

Prediction of solubility of drugs and other compounds in organic solvents.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

An evaluation of the implementation of the Cramer classification scheme in the Toxtree software

29 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3205042

journals/jcheminf/OBoyleGWAABFHHHJJLLLLPPSSTTM11

29 November 2018

Identifiers

DOI

10.1186/1758-2946-3-37

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02