chemicalchecker.core.examples.Example

class Example(dup_keys_prop=0, dup_features_prop=0, nan_prop=0, inf_prop=0, empty_keys_prop=0, empty_features_prop=0, force=False)[source]

Bases: BaseExample

Example class.

The Example class contains some example data, accessible with the class methods.

Initialize a Example instance.

Methods

`add_infs`
`add_nans`
`cell_sensitivity`	Cell sensitivity data from CTRP
`check_type`
`drug_targets`	Drug targets from PharmacoDB.
`duplicate_features_matrix`
`duplicate_features_pairs`
`duplicate_keys_matrix`
`duplicate_keys_pairs`
`empty_features`
`empty_keys`
`fingerprints`	Morgan fingerprints from LINCS.
`returner_matrix`
`returner_pairs`
`toy_matrix`	A toy matrix, just to test the sign0.
`toy_pairs`	Toy pairs, just to test the sign0.

cell_sensitivity()[source]

Cell sensitivity data from CTRP

Returns:: X, keys, features

drug_targets()[source]

Drug targets from PharmacoDB.

Returns:: pairs

fingerprints()[source]

Morgan fingerprints from LINCS.

Returns:: X, keys, features

toy_matrix(key_type='inchikey', fit_case=True)[source]

A toy matrix, just to test the sign0.

Parameters:

key_type (str) – One of ‘inchikey’, ‘smiles’, ‘src’ (source) (default=’inchikey’)
fit_case (bool) – Get a fit case or a predict/transform case (default=True)

Returns:

X, keys, features

toy_pairs(key_type='inchikey', fit_case=True)[source]

Toy pairs, just to test the sign0.

Parameters:

key_type (str) – One of ‘inchikey’, ‘smiles’, ‘src’ (source) (default=’inchikey’)
fit_case (bool) – Get a fit case or a predict/transform case (default=True)

Returns:

pairs