(Q21092921)

Christoph Steinbeck

Christoph

Steinbeck

1 reference

11 July 2022

23

University of Cambridge

Peter Murray-Rust

Peter

Murray-Rust

1 reference

11 July 2022

3

Karolinska Institutet

Egon L Willighagen

Egon L

Willighagen

1 reference

11 July 2022

13

Oral Roberts University

Andrew Sid Lang

Andrew Sid

National Institutes of Health

Lang

1 reference

11 July 2022

6

Jean-Claude Bradley

Jean-Claude

Bradley

1 reference

11 July 2022

2

Rajarshi Guha

Rajarshi

Guha

1 reference

11 July 2022

19

Ola Spjuth

Ola

Spjuth

1 reference

11 July 2022

12

Nina Jeliazkova

Nina

Jeliazkova

1 reference

11 July 2022

1

University College Cork

Noel M O'Boyle

Noel M

O'Boyle

1 reference

11 July 2022

5

Jonathan Alvarsson

Jonathan

Alvarsson

1 reference

11 July 2022

Geoffrey R. Hutchison

10

Geoffrey R Hutchison

Geoffrey R

Hutchison

1 reference

11 July 2022

9

Marcus D Hanwell

Marcus D

Hanwell

1 reference

11 July 2022

16

Daniel M Lowe

Daniel M

Lowe

1 reference

11 July 2022

17

Jérôme Pansanel

Jérôme

Pansanel

1 reference

11 July 2022

Karol M Langner

14

Karol M

Langner

1 reference

11 July 2022

8

Robert M Hanson

Robert M

Hanson

1 reference

11 July 2022

Samuel E Adams

4

University of Cambridge

Samuel E

Adams

1 reference

11 July 2022

Igor V Filippov

7

Igor V

Filippov

1 reference

11 July 2022

Craig A James

11

Craig A

James

1 reference

11 July 2022

David C Lonie

15

David C

Lonie

1 reference

11 July 2022

Dmitry Pavlov

18

Dmitry

Pavlov

1 reference

11 July 2022

Adam L Tenderholt

21

affiliation

University of Washington

Adam L

Tenderholt

1 reference

11 July 2022

Kevin J Theisen

22

Kevin J

Journal of Cheminformatics

Theisen

1 reference

11 July 2022

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

issue

1

0 references

page(s)

37

0 references

copyright license

Creative Commons Attribution 2.0 Generic

start time

14 October 2011

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

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

2 references

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

19 March 2017

CiteULike CiTO annotations

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

2022

2 references

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

19 March 2017

CiteULike CiTO annotations

Resource description framework technologies in chemistry

2022

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

has goal

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

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

29 November 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-3-37

7 January 2021

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-3-37

7 January 2021

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-3-37

7 January 2021

Chapter 17. Open Source Tools for Read-Across and Category Formation

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-3-37

7 January 2021

Jmol– a paradigm shift in crystallographic visualization

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-3-37

7 January 2021

CIFXML: a schema and toolkit for managing CIFs in XML

1 reference

COCI

https://opencitations.net/index/api/v1/references/10.1186/1758-2946-3-37

18 January 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1186/1758-2946-3-37

journals/jcheminf/OBoyleGWAABFHHHJJLLLLPPSSTTM11

18 January 2024

Identifiers

DOI

10.1186/1758-2946-3-37

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02