RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application
© 2019 American Chemical Society. There is a renewed interest in computer-aided synthesis planning, where the vast majority of approaches require the application of retrosynthetic reaction templates. Here we introduce RDChiral, an open-source Python wrapper for RDKit designed to provide consistent h...
Main Authors: | Coley, Connor W, Green, William H, Jensen, Klavs F |
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Other Authors: | Massachusetts Institute of Technology. Department of Chemical Engineering |
Format: | Article |
Language: | English |
Published: |
American Chemical Society (ACS)
2021
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Online Access: | https://hdl.handle.net/1721.1/134762 |
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