Apply ChEMBL solubility transformations

A utility that reads an input set of structures and outputs transformed structures along with annotations containing of the original data based on the matched pairs discovered from indexing solubility data from the [ChEMBL24-2018] data set.

Command Line Interface

Usage: ./ChEMBLsolubility input.sdf output.sdf

Code

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ChEMBLsolubility.java