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

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Bibliographic Details
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
Description
ISSN:1758-2946
DOI:10.1186/s13321-026-01237-y