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EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties.

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Title: EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties.
Authors: Lin X; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. linx1@ornl.gov., Kearney LT; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. kearneylt@ornl.gov., Su Z; Research, Takeda Pharmaceutical Company Ltd., Cambridge, MA, 02139, USA., Liu Y; Broad Institute of MIT and Harvard, Cambridge, MA, 02142, USA., Naskar AK; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. naskarak@ornl.gov., Bhowmik D; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. bhowmikd@ornl.gov.
Source: Journal of cheminformatics [J Cheminform] 2026 Jul 15; Vol. 18 (1). Date of Electronic Publication: 2026 Jul 15.
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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DbLabel: MEDLINE Ultimate
An: 42458650
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties.
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  Data: <searchLink fieldCode="AU" term="%22Lin+X%22">Lin X</searchLink>; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. linx1@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Kearney+LT%22">Kearney LT</searchLink>; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. kearneylt@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Su+Z%22">Su Z</searchLink>; Research, Takeda Pharmaceutical Company Ltd., Cambridge, MA, 02139, USA.<br /><searchLink fieldCode="AU" term="%22Liu+Y%22">Liu Y</searchLink>; Broad Institute of MIT and Harvard, Cambridge, MA, 02142, USA.<br /><searchLink fieldCode="AU" term="%22Naskar+AK%22">Naskar AK</searchLink>; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. naskarak@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Bhowmik+D%22">Bhowmik D</searchLink>; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. bhowmikd@ornl.gov.
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  Data: <searchLink fieldCode="JN" term="%22101516718%22">Journal of cheminformatics</searchLink> [J Cheminform] 2026 Jul 15; Vol. 18 (1). <i>Date of Electronic Publication: </i>2026 Jul 15.
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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
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        Value: 10.1186/s13321-026-01237-y
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      – Code: eng
        Text: English
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      – TitleFull: EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties.
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            NameFull: Lin X
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            – D: 15
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              Text: 2026 Jul 15
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