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Chemoinformatics-based enumeration of chemical libraries: a tutorial
Virtual compound libraries are increasingly being used in computer-assisted drug discovery applications and have led to numerous successful cases. This paper aims to examine the fundamental concepts of library design and describe how to enumerate virtual libraries using open source tools. To exempli...
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| Veröffentlicht in: | J Cheminform |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Springer International Publishing
2020
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7590480/ https://ncbi.nlm.nih.gov/pubmed/33372622 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00466-z |
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