Chemical libraries
| Service |
Chemical libraries |
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| Goals |
Drug design. Chemical libraries managing. Molecules visualization. |
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| The management of chemical libraries is a prerequisite for virtual screening process. Software like Open Babel or Marvin ChemAxon are used for this. The automation of large scale tasks is achieved through Knime pipeline or Python scripts. New molecules from combinatorial reactions are also automatically generated for further virtual screening. | ||
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