MolPipeline : A python package for processing molecules with RDKit in scikit-learn - Sieg, Jochen; Feldmann, Christian Wolfgang; Hemmerich, Jennifer; Stork, Conrad; Sandfort, Frederik; Eiden, Philipp; Mathea, Miriam (ChemRxiv, 2024)
Keywords: Algorithms; Chemistry; Chemoinformatics - Computational Chemistry; Data processing; Machine Learning; Pipelines; Theoretical and Computational Chemistry; scikit-learn; RDKit; Python