├── README.txt ├── compare_regression.txt ├── huuskonen.rdkit ├── huuskonen.sol ├── huuskonen_test.rdkit ├── huuskonen_test.slogp ├── huuskonen_test.smi ├── huuskonen_test.sol ├── huuskonen_test.txt ├── huuskonen_train.rdkit ├── huuskonen_train.slogp ├── huuskonen_train.smi ├── huuskonen_train.sol ├── install_libraries.R ├── jcim.rdkit ├── jcim.slogp ├── jcim.smi ├── jcim.sol ├── listing_1.R ├── listing_2.py ├── listing_3.R ├── listing_4.R ├── listing_5.R ├── listing_6.py ├── listing_7.R ├── listing_8.R ├── listing_9.R ├── pubchem.rdkit ├── pubchem.smi ├── pubchem.sol └── similarity.txt /README.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PatWalters/cheminformaticsbook/HEAD/README.txt -------------------------------------------------------------------------------- /compare_regression.txt: -------------------------------------------------------------------------------- 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