Activity-relevant similarity values for fingerprints and implications for similarity searching
A largely unsolved problem in chemoinformatics is the issue of how calculated compound similarity relates to activity similarity, which is central to many applications. In general, activity relationships are predicted from calculated similarity values. However, there is no solid scientific foundatio...
| Main Authors: | , , , |
|---|---|
| Format: | Online |
| Language: | English |
| Published: |
F1000Research
2016
|
| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4830209/ |