PubChemPy

Python wrapper for the PubChem PUG REST API. (by mcs07)
Add to my DEV experience Python cheminformatics pubchem Chemistry
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pubchempy.readthedocs.io
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PubChemPy Alternatives

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PubChemPy reviews and mentions

Posts with mentions or reviews of PubChemPy. We have used some of these posts to build our list of alternatives and similar projects. The last one was on 2022-09-18.
  • Global-Chem: A Free Dictionary from Common Chemical Names to Molecules
    5 projects | news.ycombinator.com | 18 Sep 2022
    TIL about #cheminformatics and Linked Data (Semantic Web):

    Cheminformatics: https://en.wikipedia.org/wiki/Cheminformatics

    https://github.com/topics/cheminformatics :

    - https://github.com/hsiaoyi0504/awesome-cheminformatics #Databases #See_also

    - https://github.com/mcs07/PubChemPy :

    > PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical properties.

    http://chemicalsemantics.com/introduction-to-the-chemical-se... ... /? chemicalsemantics github ... https://github.com/semanticchemistry/semanticchemistry #See_also :

    > The Chemical Information Ontology (CHEMINF) aims to establish a standard in representing chemical information. In particular, it aims to produce an ontology to represent chemical structure and to richly describe chemical properties, whether intrinsic or computed.

    Looks like they developed the CHEMINF OWL ontology in Protege 4 (which is Open Source). /ontology/cheminf-core.owl: https://github.com/semanticchemistry/semanticchemistry/blob/...

    - Does it -- the {sql/xml/json/graphql, RDFS Vocabulary, OWL Ontology} schema - have more (C)Classes and (P)Properties than other schema for modeling this domain?

    - What namespaced strings and URIs does it specify for linking entities internally and externally?

    LOV Linked Open Vocabularies maintains a database of many RDFS vocabularies and OWL ontologies (which are represented in RDF) https://lov.linkeddata.es/dataset/lov/terms?q=chemical

    - "The Linking Open Data Cloud" (2007-) https://lod-cloud.net/

    /? "cheminf" https://scholar.google.com/scholar?hl=en&as_sdt=0,43&qsp=1&q...

    /? "cheminf" ontology

Stats

Basic PubChemPy repo stats
1
357
0.0
20 days ago

mcs07/PubChemPy is an open source project licensed under MIT License which is an OSI approved license.

The primary programming language of PubChemPy is Python.

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