Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds
Abstract We report on the development of a cheminformatics enumeration technology and the analysis of a resulting large dataset of virtual macrolide scaffolds. Although macrolides have been shown to have valuable biological properties, there is no ready-to-screen virtual library of diverse macrolide...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
BMC
2018-11-01
|
| Series: | Journal of Cheminformatics |
| Online Access: | http://link.springer.com/article/10.1186/s13321-018-0307-6 |