MOESM1 of chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

Additional file 1. Contains a screenshot of the KNIME workflow corresponding to the example command line pipe shown in Fig. 9 and a list with brief description of each command line program

MOESM2 of chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

Additional file 2. Contains the structures and data used to create and validate the solubility QSPR model in Fig. 10

MOESM4 of chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

Additional file 4. Contains the PDB identifiers used to create Fig. 11