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Table 2 A comparison of pairwise similarities between generated molecules by the MolFinder, ReLeaSE and MolDQN methods

From: MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES

 

Mean

Std.

MolFinder

0.3106

0.0716

MolFinder-local

0.3211

0.1116

ReLeaSE

0.4330

0.0782

MolDQN

0.3693

0.0719