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ivanovaml
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malaria_CIDs_SIDs_SMILES_targets

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Unnamed: 0
int64
0
5.52k
CID
int64
237
138M
SID
int64
103M
405M
SMILES
stringlengths
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Dataset was extracted from a dataset provided by NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay https://pubchem.ncbi.nlm.nih.gov/bioassay/449704

Code of NNs https://pubchem.ncbi.nlm.nih.gov/bioassay/449704 utilising the resulting dataset.
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