The Blue Obelisk-interoperability in chemical informatics - Wikidata - wikimedia - TriplyDB

The Blue Obelisk-interoperability in chemical informatics

The Blue Obelisk-interoperability in chemical informatics

http://www.wikidata.org/entity/Q27062363

about

Open science is a research accelerator Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on Avogadro: an advanced semantic chemical editor, visualization, and analysis platform Bioclipse: an open source workbench for chemo- and bioinformatics Open access and open source in chemistry Bioclipse 2: a scriptable integration platform for the life sciences Semantic similarity for automatic classification of chemical compounds SCRIPDB: a portal for easy access to syntheses, chemicals and reactions in patents SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions Remediation of the protein data bank archive The Chemical Information Ontology: provenance and disambiguation for chemical data on the biological semantic web Userscripts for the life sciences Linking the Resource Description Framework to cheminformatics and proteochemometrics Molecular Chemometrics Towards interoperable and reproducible QSAR analyses: Exchange of datasets A Survey of Quantitative Descriptions of Molecular Structure SwissParam: A fast force field generation tool for small organic molecules cclib: A library for package-independent computational chemistry algorithms Very fast prediction and rationalization of pKa values for protein-ligand complexes Samb V ca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands The SIESTA method; developments and applicability SwissDock, a protein-small molecule docking web service based on EADock DSS Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point charges Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine In silicoidentification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety The prion protein binds thiamine Chemistry publication – making the revolution Software platform virtualization in chemistry research and university teaching.How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in Chemistry OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia.OrChem - An open source chemistry search engine for Oracle(R)Optimal assignment methods for ligand-based virtual screening wwLigCSRre: a 3D ligand-based server for hit identification and optimization ACPYPE - AnteChamber PYthon Parser interfacE Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina A structure-based approach for mapping adverse drug reactions to the perturbation of underlying biological pathways Integrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screening Structure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivo AutoClickChem: click chemistry in silico

P2860

Q21004179-C5CE23BB-31AD-42D7-8CAF-EBDA74B1BC60 Q21092921-0C135857-EF27-496E-8DDC-8906767A310C Q21092922-24587399-4bf6-7930-b9f2-14b137c46df4 Q21093640-95fd068b-4150-27e3-28c5-c739a165393e Q21202760-722C2CB6-1760-475A-BB16-9BC147D2B868 Q21284369-6960E7D4-79C7-44E9-8A03-3F45A08CB264 Q21563489-9B390F1A-1877-4D32-9DAC-0477B7F68B96 Q24619966-35EF23BF-3353-45C8-B85B-0196D901CFD2 Q24643366-48BBA63E-B529-4624-AF72-4C39A75A93C4 Q24650571-82C203BA-9A0C-4EA7-8D89-401F00FB18FE Q27062312-0DADE5B2-9117-4657-AA65-EE04B8613D4B Q27062487-5C397631-EA4E-40C2-AA7E-FA916979B5C7 Q27062639-952F8FEA-C9DA-41C0-BD11-18BD96700BB6 Q27134682-2147A2B3-758E-49AE-B832-37B6E50EFAD3 Q27134746-31C774FD-1B16-4C05-815D-FF6254FDADCF Q27134895-F5A21872-018E-435A-8B2B-8843A7D2C69A Q27136894-6310C147-2412-4DCD-978D-A24E61A8297D Q27144102-0651a001-46bb-5c14-d926-9a361c76f132 Q27144110-b91ef35f-4253-6c48-669a-dbf8c3936698 Q27144118-42c94563-481a-c0af-186a-4612e91eafa8 Q27144143-4465B7A7-4791-4EC7-A477-1EC53BF93B13 Q27144176-122C88A8-4248-4F37-A987-7A3D430471EA Q27144191-BDCB5F25-FE61-4552-967E-54FD82E4D0DD Q27144201-2D30FCD1-69AC-4250-B6B1-4DBCE69E0FA8 Q27671113-D157E78E-602C-4E44-9F93-507276F07FB7 Q27671584-6F91399E-BDF1-4A90-AA0C-41596C712EB9 Q27671805-AAF06C91-58C6-4050-84B5-8E490D8C43BF Q27701844-8CDC028C-B856-4C56-B22A-75B145797DC6 Q27867885-553E9388-A0A2-4416-9B49-7681265B275F Q27921802-32F2F289-68DD-4773-A987-510559C25DA5 Q27921857-99C81990-17B0-476F-9A52-7C61BBFBDF81 Q27998666-A8F8828B-40FD-4734-8A1D-D413433142F3 Q27998698-C1819C5C-F478-4267-998D-7F4E0A1D29A3 Q28244457-CF5CB4AF-D049-4696-BF30-8C8A03DAB415 Q28465578-40C0CB5E-A9DB-4BBE-884B-45ADB41552A1 Q28475016-4C1A7CD0-60E2-4B04-A972-84A8384A2248 Q28475242-CA08D82D-E5C4-4A5A-8F88-089E43F659AE Q28475578-0D9C42D4-1BB1-4625-9ACF-554466D4E0DF Q28476470-23E984C9-3B5F-4DFD-AEE1-18A34BCE31E3 Q28481518-3ABFBB3E-BD46-45DB-B157-391C4B33B1BE

P2860

The Blue Obelisk-interoperability in chemical informatics

http://www.wikidata.org/entity/Q27062363

description

2006 թուականի Փետրուարին հրատարակուած գիտական յօդուած

@hyw

2006 թվականի փետրվարին հրատարակված գիտական հոդված

@hy

article scientifique (publié 2006/02/22)

@fr

articolo scientifico (pubblicato il 2006/02/22)

@it

artigo científico (publicado na 2006/02/22)

@pt

artículu científicu espublizáu en 2006

@ast

im Februar 2006 veröffentlichter wissenschaftlicher Artikel

@de

peer-reviewed research article

@en

vedecký článok (publikovaný 2006/02/22)

@sk

vetenskaplig artikel (publicerad på 2006/02/22)

@sv

name

The Blue Obelisk-interoperability in chemical informatics

@ast

The Blue Obelisk-interoperability in chemical informatics

@en

The Blue Obelisk-interoperability in chemical informatics

@nl

type

label

The Blue Obelisk-interoperability in chemical informatics

@ast

The Blue Obelisk-interoperability in chemical informatics

@en

The Blue Obelisk-interoperability in chemical informatics

@nl

altLabel

Blue Obelisk - Interoperability in chemical informatics

@en

The Blue Obelisk—Interoperability in Chemical Informatics

@en

prefLabel

The Blue Obelisk-interoperability in chemical informatics

@ast

The Blue Obelisk-interoperability in chemical informatics

@en

The Blue Obelisk-interoperability in chemical informatics

@nl

P1104

Q27062363-0e1686cf-4b6c-80fb-dd79-87407947ef39

P1433

Q27062363-A480C5BB-6B61-4D05-B4CF-497566FC0DA5

P1476

Q27062363-4E49AEB1-8943-443C-B503-1FE4336E6A70

P2093

Q27062363-11EB74E5-196C-4D8E-A89D-352389FD6E44

Q27062363-5B8DED99-B5AA-42CA-BC1B-EE9F1310E67F

P2860

Q27062363-12de2363-4786-6733-13c2-a76639348ae9

Q27062363-167af0c4-4596-7e85-5460-0837e71ca2d5

Q27062363-24890e7e-4128-a786-baf9-fe739e2774ee

Q27062363-3344256d-4cd9-04e7-f9e1-fb3d079023f8

Q27062363-3BC4B1FE-DEE8-44E0-8592-489FD9E02D7D

Q27062363-3a8553f8-42dc-9d18-bc45-c7aabf521ca0

Q27062363-42e3be0c-4f76-596e-46c0-482978c85ed1

Q27062363-5b8e3e27-4deb-921a-7935-e9c7a9ebfdc0

Q27062363-66f20dd0-4aca-b97a-024f-fc312a0dcfbc

Q27062363-6AC5D913-F7B7-46FC-A4C1-BBF4B84B1711

P304

Q27062363-42830FD4-F0DB-467D-9508-FCD93636797F

P31

Q27062363-2B1459A4-5689-4538-AF0F-22407C646726

P356

Q27062363-3B42BB09-12E1-449C-A89E-4AC9822BC592

P407

Q27062363-64923681-1478-4915-869C-8213188B9A14

P433

Q27062363-C741E190-948D-447B-BBEA-BCE7B00D5EDA

P478

Q27062363-76299631-ED75-4D2C-8710-D83C8513A8B9

P50

Q27062363-03fb7a97-4214-75e3-94e3-8455fc9bba0c

Q27062363-31a072e1-4037-5736-e64c-784218e646f8

Q27062363-3256d88e-4ee5-115d-8151-c28a124c26db

Q27062363-5BD84B40-850F-42A9-8EAC-23691CE17FE9

Q27062363-9860ffc6-493b-1874-dc6c-8d7b0c87de00

Q27062363-D14F397E-2BBC-49D5-AD0A-97D838D4905E

Q27062363-bf998a25-40dd-cfc5-0d84-1ea0f1b683c1

P577

Q27062363-ddc5d8f3-4549-b5b4-cce1-a3f81f4c7de1

P5875

Q27062363-A87E17BC-7EF0-4852-80A2-3C2B712D01B5

P698

Q27062363-4C12C0CB-E346-4BF2-ABC1-FB29D1ED3969

P921

Q27062363-37955D9E-828F-4B3A-98B9-2AF98ECE0A88

Q27062363-6fa39d68-41d8-99f4-ed0c-f216a1988888

Q27062363-803ecb67-4a92-ee27-c646-42949fe51707

P932

Q27062363-3AE6D384-DFE9-4C0C-BDFD-14BBDA9C7E74

P356

P1104

8

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

P1433

Journal of Chemical Information and Modeling

P1476

The Blue Obelisk-interoperability in chemical informatics

@en

P2093

Jörg Wegner

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

Michael T Howard

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

P2860

van der Waals Volumes and Radii

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

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

JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures

NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components

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

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

The Ame2003 atomic mass evaluation

Binding Energies in Atomic Negative Ions: III

The case for open-source software in drug discovery.

P304

991-8

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

P31

scholarly article

P356

10.1021/CI050400B

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

P407

P433

3

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

P478

46

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

P50

Egon Willighagen

Geoffrey R. Hutchison

Jörg Kurt Wegner

Christoph Steinbeck

Peter Murray-Rust

P577

2006-02-22T00:00:00Z

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

P5875

7069461

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

P698

16711717

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

P921

interoperability

P932

4878861

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