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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...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4480443/ https://www.ncbi.nlm.nih.gov/pubmed/26113874 http://dx.doi.org/10.1186/s13065-015-0104-5 |