Metadata-Version: 2.4
Name: chembl_miner
Version: 0.1.0
Summary: A package for automating QSAR analysis on ChEMBL data.
Author-email: Henrique Gabriel Wuchryn Martins <henriq.gwm@gmail.com>
License-Expression: MIT
Project-URL: Homepage, https://github.com/henriqwuchryn/chembl_miner
Project-URL: Bug Tracker, https://github.com/henriqwuchryn/chembl_miner/issues
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: scikit-learn
Requires-Dist: matplotlib
Requires-Dist: seaborn
Requires-Dist: chembl_webresource_client
Requires-Dist: padelpy
Requires-Dist: rdkit
Requires-Dist: sklearn-genetic-opt
Requires-Dist: xgboost
Requires-Dist: statsmodels
Dynamic: license-file

ROADMAP:
-implementation on generic algorithm for hyperparameter optimization
-implementation of additional outlier detection methods
-implementation of additional feature selection methods
-implementation of classifier pipeline
