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. 2020 Jan 8;12:1. doi: 10.1186/s13321-019-0407-y

Table 2.

Aggregation function special cases

Model Hidden states Aggregation form
MPNN hvt Mthvt,hwt,evw=fNNevwhwt
AMPNN hvt Athvt,hwt,evw=wNvfNNevwhwtexpgNNevwhwtwNvexpgNNevwhwt
EMNN hvwt

Atevw,Svwt=xSvwtfNNxexpgNNxxSvwtexpgNNx

Svwt=Svwtevw