Table 2 Descriptors in the hetero-atoms descriptors (HD) key
From: A generalizable definition of chemical similarity for read-across
Name | Description |
|---|---|
nN | Number of Nitrogen atoms |
nO | Number of Oxygen atoms |
nP | Number of Phosphorous atoms |
nS | Number of Sulfur atoms |
nF | Number of Fluorine atoms |
nCl | Number of Chlorine atoms |
nBr | Number of Bromine atoms |
nI | Number of Iodine atoms |
nB | Number of Boron atoms |
nHet | Number of heteroatoms |
nX | Number of halogen atoms |