Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation.

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Bibliographic Details
Title: Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation.
Authors: Butler PWV; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge CB3 0AS, U.K., Rihm SD; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge CB3 0AS, U.K., Mosbach S; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge CB3 0AS, U.K.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create Way, CREATE Tower, #05-05, Singapore 138602, Singapore., Akroyd J; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge CB3 0AS, U.K.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create Way, CREATE Tower, #05-05, Singapore 138602, Singapore., Kraft M; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge CB3 0AS, U.K.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create Way, CREATE Tower, #05-05, Singapore 138602, Singapore.; MIT, Chemical Engineering, 77 Massachusetts Avenue, Room E17-504, Cambridge, Massachusetts 02139, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Apr 13; Vol. 66 (7), pp. 3933-3943. Date of Electronic Publication: 2026 Apr 01.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-960X
DOI:10.1021/acs.jcim.5c02956