ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds [version 1; referees: 1 approved, 2 approved with reservations]
We present a novel approach called ChemMaps for visualizing chemical space based on the similarity matrix of compound datasets generated with molecular fingerprints’ similarity. The method uses a ‘satellites’ approach, where satellites are, in principle, molecules whose similarity to the rest of the...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
F1000 Research Ltd
2017-07-01
|
| Series: | F1000Research |
| Subjects: | |
| Online Access: | https://f1000research.com/articles/6-1134/v1 |