Table. 1 List of symbols and notations used in the paper

From: Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery

Symbol

Description

\({{{{{{\boldsymbol{X}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}\)

The control profiles treated with DMSO

\({{{{{{\boldsymbol{X}}}}}}}_{{{{{{\boldsymbol{2}}}}}}}\)

The transcriptional profiles treated with compounds

\({{{{{\boldsymbol{\Delta }}}}}}{{{{{\boldsymbol{X}}}}}}\)

The differential expression genes \(\left({X}_{2}-{X}_{1}\right)\)

\({\hat{{{{{{\boldsymbol{X}}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}\)

The reconstructed control profiles

\({\hat{{{{{{\boldsymbol{X}}}}}}}}_{{{{{{\boldsymbol{2}}}}}}}\)

The reconstructed transcriptional profiles

\({{{{{\boldsymbol{\Delta }}}}}}\hat{{{{{{\boldsymbol{X}}}}}}}\)

The reconstructed differential expression genes \(\left({\hat{X}}_{2}-{X}_{1}\right)\)

\({{{{{{\boldsymbol{X}}}}}}}_{{{2}}}^{{{\prime} }}\)

The predicted transcriptional profiles from \({X}_{1}\) and perturbation representation

\({{{{{\boldsymbol{\Delta }}}}}}{{{{{\boldsymbol{X}}}}}}^{{{\prime} }}\)

The predicted differential expression genes \(\left({X}_{2}^{\prime} -{X}_{1}\right)\)

\({{{{{{\boldsymbol{Z}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}\)

The latent representation of \({X}_{1}\)

\({{{{{{\boldsymbol{Z}}}}}}}_{{{{{{\boldsymbol{2}}}}}}}\)

The latent representation of \({X}_{2}\)

\({{{{{{\boldsymbol{Z}}}}}}}_{{{{{{\boldsymbol{2}}}}}}}{{{{{\boldsymbol{F}}}}}}{{{{{{\boldsymbol{Z}}}}}}}_{{{{{{\boldsymbol{1}}}}}}}\)

The latent representation from \({X}_{1}\) and perturbation representation

\({{{{{{\boldsymbol{C}}}}}}}_{{{{{{\boldsymbol{mol}}}}}}}\)

The input representation of the compounds

\({{{{{{\boldsymbol{Z}}}}}}}_{{{{{{\boldsymbol{mol}}}}}}}\)

The hidden representation of the compounds

\({{{{{{\boldsymbol{encoder}}}}}}}_{{{{{{\boldsymbol{x}}}}}}{{{{{\boldsymbol{1}}}}}}}\)

The encoder for \({X}_{1}\)

\({{{{{{\boldsymbol{decoder}}}}}}}_{{{{{{\boldsymbol{x}}}}}}{{{{{\boldsymbol{1}}}}}}}\)

The decoder for \({X}_{1}\)

\({{{{{{\boldsymbol{encoder}}}}}}}_{{{{{{\boldsymbol{x}}}}}}{{{{{\boldsymbol{2}}}}}}}\)

The encoder for \({X}_{2}\)

\({{{{{{\boldsymbol{decoder}}}}}}}_{{{{{{\boldsymbol{x}}}}}}{{{{{\boldsymbol{2}}}}}}}\)

The decoder for \({X}_{2}\)