hashes pubchem id of drugs with missing drug fingerprints #144
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PascalIversen
added
bug
…dcoding has to stay. cross study pred from and to the Toy wont work with DIPK
…ts names. Also adds TOYv2. Its purpose ought to be testing cross study prediction or similiar endeavours
…hold molir, superfeltr: remembering features from training dataset such that they can be subsetted in predict test molir, superfeltr: sample a drug that is in study and cross study
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
Co-authored-by: Judith Bernett <38618495+JudithBernett@users.noreply.github.com>
JudithBernett
approved these changes
Mar 5, 2025
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thereby we prevent failure of cross study prediction for unkown drugs, and the model can learn conditional sensitivity effects from the identity of a drug
also closes #150