Lost in chemical space? Maps to support organometallic catalysis
نویسندگان
چکیده
منابع مشابه
Lost in chemical space? Maps to support organometallic catalysis
Descriptors calculated from molecular structures have been used to map different areas of chemical space. A number of applications for such maps can be identified, ranging from the fine-tuning and optimisation of catalytic activity and compound properties to virtual screening of novel compounds, as well as the exhaustive exploration of large areas of chemical space by automated combinatorial bu...
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ژورنال
عنوان ژورنال: Chemistry Central Journal
سال: 2015
ISSN: 1752-153X
DOI: 10.1186/s13065-015-0104-5