Table 3 Modifiers used for the different scoring functions in the Pi3K/mTOR task
From: Integrating synthetic accessibility with AI-based generative drug design
Modifier | |
|---|---|
Pi3K | MaxGaussian (7, 1) |
mTOR | MaxGaussian (8, 1) |
QED | MaxGaussian (0.6, 0.13) |
Similarity | MaxGaussian (0.75, 0.25) |
RA Score | MaxGaussian (0.7, 0.2) |
SC Score | MinGaussian (2.5, 0.4) |
SA Score | MinGaussian (2.5, 0.4) |
RScore1min | MaxGaussian (0.7, 0.2) |
RSPred Score | MaxGaussian (0.7, 0.2) |