Chemoinformatics-based enumeration of chemical libraries: a tutorial
Abstract 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. T...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
BMC
2020-10-01
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| Serie: | Journal of Cheminformatics |
| Soggetti: | |
| Accesso online: | http://link.springer.com/article/10.1186/s13321-020-00466-z |
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