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graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.

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Title: graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.
Authors: Sil S; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA., Maskeri MA; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA., Scheidt KA; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA. scheidt@northwestern.edu.
Source: Journal of cheminformatics [J Cheminform] 2026 Mar 31; Vol. 18 (1). Date of Electronic Publication: 2026 Mar 31.
Publication Type: Journal Article
Journal Info: Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946 (Print) Linking ISSN: 17582946 NLM ISO Abbreviation: J Cheminform Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Availability: 0
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DbLabel: MEDLINE Ultimate
An: 41917968
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.
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  Data: <searchLink fieldCode="AU" term="%22Sil+S%22">Sil S</searchLink>; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA.<br /><searchLink fieldCode="AU" term="%22Maskeri+MA%22">Maskeri MA</searchLink>; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA.<br /><searchLink fieldCode="AU" term="%22Scheidt+KA%22">Scheidt KA</searchLink>; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA. scheidt@northwestern.edu.
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  Data: <searchLink fieldCode="JN" term="%22101516718%22">Journal of cheminformatics</searchLink> [J Cheminform] 2026 Mar 31; Vol. 18 (1). <i>Date of Electronic Publication: </i>2026 Mar 31.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22BioMed+Central%22">BioMed Central </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101516718 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Print <i>ISSN: </i>1758-2946 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2217582946%22">17582946 </searchLink><i>NLM ISO Abbreviation: </i>J Cheminform <i>Subsets: </i>PubMed not MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41917968
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1186/s13321-026-01182-w
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      – Code: eng
        Text: English
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      – TitleFull: graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.
        Type: main
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          Name:
            NameFull: Sil S
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          Name:
            NameFull: Maskeri MA
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            NameFull: Scheidt KA
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            – D: 31
              M: 03
              Text: 2026 Mar 31
              Type: published
              Y: 2026
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              Value: 1758-2946
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              Value: 18
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              Value: 1
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            – TitleFull: Journal of cheminformatics
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