Predictive models for HeCaTos

This repository contains the IPython Notebooks corresponding to the HeCaToS Deliverable Report 'D1.5 Report on Package of Predictive Models'.

HeCaToS is funded by EU 7th Framework Programme.

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
SQL		SQL
classifiers		classifiers
correlations		correlations
supplementary		supplementary
01_Load_Targets.ipynb		01_Load_Targets.ipynb
02_Map_ChEMBL_targets_and_get_curve_data.ipynb		02_Map_ChEMBL_targets_and_get_curve_data.ipynb
03_Target_Fixes.ipynb		03_Target_Fixes.ipynb
04_ChEMBL_target_classes.ipynb		04_ChEMBL_target_classes.ipynb
05_Compound_structure_lookup.ipynb		05_Compound_structure_lookup.ipynb
06_Compound_size_distributions.ipynb		06_Compound_size_distributions.ipynb
07_Suspect_Actives.ipynb		07_Suspect_Actives.ipynb
08_Curve_data_actives.ipynb		08_Curve_data_actives.ipynb
09_Counts_of_actives_and_symbols_lost.ipynb		09_Counts_of_actives_and_symbols_lost.ipynb
10_Get_actives_and_mols.ipynb		10_Get_actives_and_mols.ipynb
10a_Get_inactives.ipynb		10a_Get_inactives.ipynb
11_Activity_Profiles.ipynb		11_Activity_Profiles.ipynb
12_Similarity_profiles.ipynb		12_Similarity_profiles.ipynb
13_MCNB_modelling.ipynb		13_MCNB_modelling.ipynb
14_MCNB_prediction_analysis.ipynb		14_MCNB_prediction_analysis.ipynb
15_Testing_inactives.ipynb		15_Testing_inactives.ipynb
21_Generate_clusterings.ipynb		21_Generate_clusterings.ipynb
22_Cluster_stats.ipynb		22_Cluster_stats.ipynb
23_Picking_strategies.ipynb		23_Picking_strategies.ipynb
README.md		README.md
Toxicology-associated_targets.docx		Toxicology-associated_targets.docx
Toxicology-associated_targets.xlsx		Toxicology-associated_targets.xlsx

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