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Neural SHAKE: geometric constraints in neural differential equations.

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Title: Neural SHAKE: geometric constraints in neural differential equations.
Authors: Diamond JS; Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland. justin.diamond@unibas.ch., Lill MA; Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland.
Source: Journal of cheminformatics [J Cheminform] 2025 Aug 04; Vol. 17 (1), pp. 115. Date of Electronic Publication: 2025 Aug 04.
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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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Diamond+JS%22">Diamond JS</searchLink>; Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland. justin.diamond@unibas.ch.<br /><searchLink fieldCode="AU" term="%22Lill+MA%22">Lill MA</searchLink>; Department of Pharmaceutical Sciences, University of Basel, Basel, Switzerland.
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  Data: <searchLink fieldCode="JN" term="%22101516718%22">Journal of cheminformatics</searchLink> [J Cheminform] 2025 Aug 04; Vol. 17 (1), pp. 115. <i>Date of Electronic Publication: </i>2025 Aug 04.
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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=40760663
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1186/s13321-025-01053-w
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      – Code: eng
        Text: English
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      Pagination:
        StartPage: 115
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      – TitleFull: Neural SHAKE: geometric constraints in neural differential equations.
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          Name:
            NameFull: Diamond JS
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            NameFull: Lill MA
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          Dates:
            – D: 04
              M: 08
              Text: 2025 Aug 04
              Type: published
              Y: 2025
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              Value: 1758-2946
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              Value: 17
            – Type: issue
              Value: 1
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            – TitleFull: Journal of cheminformatics
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