Computational Ligand Descriptors for Catalyst Design
نویسندگان
چکیده
منابع مشابه
3 D Enantioselective Descriptors for Ligand - Based Computer - Aided Drug Design
4. ROC and PPV results for the feature forward analysis with the control set of features compared with the control set combined with EMAS features .. Introduction On October 5, 1981, Fortune magazine published a cover article entitled the " Next Industrial Revolution: Designing Drugs by Computer at Merck " [1]. Some have credited this as being the start of intense interest in the potential for ...
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ژورنال
عنوان ژورنال: Chemical Reviews
سال: 2019
ISSN: 0009-2665,1520-6890
DOI: 10.1021/acs.chemrev.8b00588