A note on utilising binary features as ligand descriptors
It is common in cheminformatics to represent the properties of a ligand as a string of 1’s and 0’s, with the intention of elucidating, inter alia, the relationship between the chemical structure of a ligand and its bioactivity. In this commentary we note that, where relevant but non-redundant featur...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
Springer International Publishing
2015
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4665894/ |