Loading...
Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability
This study aims at improving upon existing activity predictions methods by augmenting chemical structure fingerprints with bio-activity based fingerprints derived from high-throughput screening (HTS) data (HTSFPs) and thereby showcasing the benefits of combining different descriptor types. This type...
Saved in:
| Published in: | J Cheminform |
|---|---|
| Main Authors: | , , , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
Springer International Publishing
2019
|
| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6686534/ https://ncbi.nlm.nih.gov/pubmed/31396716 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0376-1 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|