Cover Picture: An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies (Angew. Chem. Int. Ed. 38/2023)
نویسندگان
چکیده
The assignment of the absolute configuration chiral compounds critically depends on comparison with predictions chiroptical spectra intrinsically inaccurate quantum chemical calculations. Wybren Jan Buma, Valentin Paul Nicu et al. report in their Research Article (e202307053) a novel protocol based genetic algorithm analyses and hierarchical clustering that overcomes these inaccuracies as demonstrated by elucidation conformational landscape natural products derived from Haliclona sp. marine sponge. Antitumor Agents Polycyclic Hydrocarbons Organic Electronics Click Chemistry
منابع مشابه
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ژورنال
عنوان ژورنال: Angewandte Chemie
سال: 2023
ISSN: ['1521-3773', '1433-7851', '0570-0833']
DOI: https://doi.org/10.1002/anie.202310358