Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation

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Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation

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http://www.wikidata.org/entity/Q56247660

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im August 2018 veröffentlichter wissenschaftlicher Artikel

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scientific article published on 20 August 2018

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wetenschappelijk artikel

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наукова стаття, опублікована в серпні 2018

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Ambit-SMIRKS: a software modul ...... h and structure transformation

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Ambit-SMIRKS: a software modul ...... h and structure transformation

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Ambit-SMIRKS: a software modul ...... h and structure transformation

@en

Ambit-SMIRKS: a software modul ...... h and structure transformation

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Ambit-SMIRKS: a software modul ...... h and structure transformation

@en

Ambit-SMIRKS: a software modul ...... h and structure transformation

@nl

P1476

Ambit-SMIRKS: a software modul ...... h and structure transformation

@en

P2093

Svetlana Avramova

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

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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

SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

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

enviPath--The environmental contaminant biotransformation pathway resource

SYBYL line notation (SLN): a single notation to represent chemical structures, queries, reactions, and virtual libraries.

Molecular query language (MQL)--a context-free grammar for substructure matching.

Reaction-MQL: line notation for functional transformation.

New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.

P2888

s13321-018-0295-6

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scholarly article

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10.1186/S13321-018-0295-6

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

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

P50

Nina Jeliazkova

Nikolay Kochev

Svetlana Avramova

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2018-08-20T00:00:00Z

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

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1106262245

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30128804

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6102164

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