Index

A

add_comment() (in module Capricho.core.pandas_helper)

aggregate_data() (in module Capricho.cli.chembl_data_pipeline) AggregationColumn (class in Capricho.cli.main)

B

binarize_aggregated_data() (in module Capricho.core.binarization)

binarize_data() (in module Capricho.cli.main)

C

Capricho.analysis module Capricho.chembl.api.downloader module Capricho.chembl.api.webresource module Capricho.chembl.data_flag_functions module Capricho.chembl.processing module Capricho.cli.chembl_data_pipeline module Capricho.cli.main module Capricho.cli.prepare module Capricho.core.binarization module

Capricho.core.pandas_helper module Capricho.core.stats_make module check_and_download_chembl_db() (in module Capricho.chembl.api.downloader) ChemblBackend (class in Capricho.cli.main) CompoundEquality (class in Capricho.cli.main) CompoundIdColumn (class in Capricho.cli.main) confidence (Capricho.cli.main.ConflictResolution attribute) ConflictResolution (class in Capricho.cli.main) connectivity (Capricho.cli.main.CompoundEquality attribute) (Capricho.cli.main.CompoundIdColumn attribute) convert_to_log10() (in module Capricho.chembl.processing) critical (Capricho.cli.main.LogLevel attribute) csv (Capricho.cli.main.ExploreFormat attribute) csv_intergers() (in module Capricho.cli.main) csv_string() (in module Capricho.cli.main) curate_activity_pairs() (in module Capricho.chembl.processing)

D

debug (Capricho.cli.main.LogLevel attribute) download() (in module Capricho.cli.main)

downloader (Capricho.cli.main.ChemblBackend attribute) drop (Capricho.cli.main.ConflictResolution attribute)

E

error (Capricho.cli.main.LogLevel attribute) explode_assay_comparability() (in module Capricho.analysis)

explore() (in module Capricho.cli.main) ExploreFormat (class in Capricho.cli.main)

F

flag_calculated_pchembl() (in module Capricho.chembl.data_flag_functions) flag_censored_activity_comment() (in module Capricho.chembl.data_flag_functions) flag_incompatible_units() (in module Capricho.chembl.data_flag_functions) flag_insufficient_assay_overlap() (in module Capricho.chembl.data_flag_functions) flag_inter_document_duplication() (in module Capricho.chembl.data_flag_functions) flag_max_assay_size() (in module Capricho.chembl.data_flag_functions) flag_min_assay_size() (in module Capricho.chembl.data_flag_functions) flag_missing_canonical_smiles() (in module Capricho.chembl.data_flag_functions) flag_missing_document_date() (in module Capricho.chembl.data_flag_functions)

flag_missing_standard_smiles() (in module Capricho.chembl.data_flag_functions) flag_potential_duplicate() (in module Capricho.chembl.data_flag_functions) flag_salt_or_solvent_removal() (in module Capricho.chembl.data_flag_functions) flag_strict_mutant_assays() (in module Capricho.chembl.data_flag_functions) flag_to_remove_mixture_compounds() (in module Capricho.chembl.data_flag_functions) flag_undefined_stereochemistry() (in module Capricho.chembl.data_flag_functions) flag_unit_conversion() (in module Capricho.chembl.data_flag_functions) flag_with_data_validity_comment() (in module Capricho.chembl.data_flag_functions) flag_zero_values() (in module Capricho.chembl.data_flag_functions)

G

get_activity_table() (in module Capricho.chembl.api.webresource) get_activity_table_sql() (in module Capricho.chembl.api.downloader) get_all_comments() (in module Capricho.analysis) get_assay_size_sql() (in module Capricho.chembl.api.downloader) get_assay_table() (in module Capricho.chembl.api.webresource) get_assay_table_sql() (in module Capricho.chembl.api.downloader) get_bioactivities_workflow() (in module Capricho.chembl.processing) get_compound_table() (in module Capricho.chembl.api.webresource)

get_compound_table_sql() (in module Capricho.chembl.api.downloader) get_data() (in module Capricho.cli.main) get_document_table() (in module Capricho.chembl.api.webresource) get_document_table_sql() (in module Capricho.chembl.api.downloader) get_full_activity_data() (in module Capricho.chembl.api.webresource) get_full_activity_data_sql() (in module Capricho.chembl.api.downloader) get_similarity_compound_table() (in module Capricho.chembl.api.webresource) get_standardize_and_clean_workflow() (in module Capricho.cli.chembl_data_pipeline) get_target_names_sql() (in module Capricho.chembl.api.downloader)

I

info (Capricho.cli.main.LogLevel attribute)

invert_relation_for_pchembl() (in module Capricho.core.binarization)

L

LogLevel (class in Capricho.cli.main)

M

main() (in module Capricho.cli.main) majority (Capricho.cli.main.ConflictResolution attribute) markdown (Capricho.cli.main.ExploreFormat attribute) mixed_fp (Capricho.cli.main.CompoundEquality attribute) module Capricho.analysis Capricho.chembl.api.downloader Capricho.chembl.api.webresource Capricho.chembl.data_flag_functions Capricho.chembl.processing Capricho.cli.chembl_data_pipeline Capricho.cli.main Capricho.cli.prepare Capricho.core.binarization Capricho.core.pandas_helper Capricho.core.stats_make

P

pchembl_value (Capricho.cli.main.AggregationColumn attribute) plot_multi_panel_comparability() (in module Capricho.analysis) plot_subset() (in module Capricho.analysis)

prepare_data() (in module Capricho.cli.main) prepare_multitask_data() (in module Capricho.cli.prepare) process_bioactivities() (in module Capricho.chembl.processing) process_repeat_mols() (in module Capricho.core.stats_make)

R

re_aggregate_data() (in module Capricho.cli.chembl_data_pipeline) relation (Capricho.cli.main.ConflictResolution attribute)

repeated_indices_from_array_series() (in module Capricho.core.stats_make) repeated_indices_from_IDs_df() (in module Capricho.core.stats_make)

S

save_conflict_report() (in module Capricho.core.binarization) save_dataframe() (in module Capricho.core.pandas_helper)

smiles (Capricho.cli.main.CompoundEquality attribute) (Capricho.cli.main.CompoundIdColumn attribute) standard_value (Capricho.cli.main.AggregationColumn attribute)

T

trace (Capricho.cli.main.LogLevel attribute)

W

warning (Capricho.cli.main.LogLevel attribute)

webresource (Capricho.cli.main.ChemblBackend attribute)