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scikit-fingerprints/ExpansionRx_OpenADMET_Caco-2_Permeability_Efflux

ExpansionRx-OpenADMET Caco-2 Permeability Efflux Caco-2 Permeability Efflux dataset from the ExpansionRx-OpenADMET Blind Challenge [1] [2]. It is intended to be used through scikit-fingerprints library. The task is to predict Caco-2 Permeability Efflux of molecules. Characteristic Description Tasks 1 Task type regression Total samples 3777 Recommended split time Recommended metric MAE References [1] OpenADMET team "Announcement 1:… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/ExpansionRx_OpenADMET_Caco-2_Permeability_Efflux.

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ExpansionRx-OpenADMET Caco-2 Permeability Efflux

Caco-2 Permeability Efflux dataset from the ExpansionRx-OpenADMET Blind Challenge [[1]](#1) [[2]](#2). It is intended to be used through scikit-fingerprints library.

The task is to predict Caco-2 Permeability Efflux of molecules.

**Characteristic****Description**
Tasks1
Task typeregression
Total samples3777
Recommended splittime
Recommended metricMAE

References

<a id="1">[1]</a> OpenADMET team "Announcement 1: ExpansionRx-OpenADMET Blind Challenge" https://openadmet.ghost.io/expansionrx-openadmet-blind-challenge/

<a id="2">[2]</a> HuggingFace Hub - ExpansionRx-OpenADMET challenge full dataset https://huggingface.co/datasets/openadmet/openadmet-expansionrx-challenge-data