BROOD 3.2.0

Fall 2022

New Features

• Two new fragment databases, ChEMBL31_lite and ChEMBL31, are now available. Refer to the BROOD Fragment Database section for details about these new fragment databases.

Major bug fixes

• An issue that caused BROOD to generate incorrect Molecular Tanimoto Combo with corresponding p (active) has been fixed.

• An issue that caused CHOMP to generate a much larger database than expected, by generating too many conformers per fragment, has been fixed.