6 ms·
Yes. This problem is of particular importance in drug response prediction, where small molecules are represented as graphs where the atoms are nodes and the bon
by wjn0 7y ago
Yes. This problem is of particular importance in drug response prediction, where small molecules are represented as graphs where the atoms are nodes and the bonds are edges. These are difficult to work with because of the variability in the number of nodes.
[1] https://arxiv.org/abs/1509.09292 https://arxiv.org/abs/1509.09292
[2] https://arxiv.org/abs/1603.00856 https://arxiv.org/abs/1603.00856
[3] http://proceedings.mlr.press/v48/niepert16.html http://proceedings.mlr.press/v48/niepert16.html
[4] https://persagen.com/files/misc/xu2017seq2seq.pdf https://persagen.com/files/misc/xu2017seq2seq.pdf (PDF)