Closed alirezadizaji closed 1 year ago
Also there are some graphs like 141st that has NO2 and labeled as minus one.
Hello, refer to GNNExplainer and MUTAG paper, carbon ring as well as chemical groups NH2 and NO2 is the reason for mutagenic.
However, they exist in molecules with both label 1 and -1 in MUTAG. Therefore, I am also confused about whether these functional groups are the reasons for mutagenic proprety.
Yeah I am confused about this too.
Hi thanks for sharing the dataset here, There are some graphs like 81st that has NO2 but are labeled as 1 (non-mutagen). Is there something that I'm missing? thanks![Figure_1111](https://user-images.githubusercontent.com/33565522/186725061-34265b7b-d718-4931-a199-7be614c64a83.png)