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Simeonov2008 – Dataset by LuisTR40584 | AlphaNeural AI

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LuisTR40584/
Simeonov2008

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Autofluorescent compounds identified in HTS compound libraries (Simeonov et al, 2008)

This dataset includes the CID, SMILES, InChi representation and InChi key, as well as the AID for the active compounts identified in Simeonove et al.

Quickstart Usage

From within python load the datasets library to access the dataset and pandas for parsing:

import datasets import pandas as pd

ActiveCompounds = datasets.load_dataset("LuisTR40584/Simeonov2008") acdf =… See the full description on the dataset page: https://huggingface.co/datasets/LuisTR40584/Simeonov2008.