Update README.md

kmansouri · Dec 20, 2019 · 73d2842 · 73d2842
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@@ -6,3 +6,4 @@ Starts from structures in SDF or smiles format and produces:
 - SDF file with standardized structures in 3D form (includes provided IDs, original structures, Salts/solvents, Inchi codes and keys)
 - Smiles file (.smi) with standardized structures (kekule form)
 - CSV file with  structures that failed standardization with a specified error flag (parsing and valence errors, inorganics, mixrutres...)
+- CSV file with salts/solvent information that can be used in OPERA (in command line) for optimal prediction results (MP and logP models)