Lost in chemical space? Maps to support organometallic catalysis

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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