chemical-induced-gene-expression

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AIMedLab / FAME

Code for the paper "FAME: Fragment-based Conditional Molecular Generation for Phenotypic Drug Discovery", published on SDM 2022.

variational-autoencoder conditional-generation contrastive-learning molecular-generation phenotypic-drug-discovery chemical-induced-gene-expression

Updated Mar 16, 2022
Python

AIMedLab / CIGER

Star

Code and Datasets for the paper "Chemical-induced gene expression ranking and its application to pancreatic cancer drug repurposing", published on Patterns in 2022.

deep-learning l1000 drug-repurposing learning-to-rank graph-neural-network chemical-induced-gene-expression

Updated Feb 14, 2022
Python

Code and Datasets for the paper "A deep learning framework for high-throughput mechanism-driven phenotype compound screening and its application to COVID-19 drug repurposing", published on Nature Machine Intelligence in 2021.

l1000 drug-repurposing multi-head-attention graph-neural-network covid-19 phenotypic-drug-discovery chemical-induced-gene-expression

Updated Aug 16, 2020
Python

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