Cargando…
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...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7590480/ https://www.ncbi.nlm.nih.gov/pubmed/33372622 http://dx.doi.org/10.1186/s13321-020-00466-z |