Skip to main content

Table 1 A comparison of modified drug-likeness optimization results 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

 

ZINC

MolFinder

MolFinder-local

ReLeaSE

MolDQN

Mean

0.7086

0.9237

0.9240

0.8473

0.8677

Std.

0.1248

0.0020

0.0027

0.0380

0.0240

Min.

0.3263

0.9209

0.9199

0.7570

0.8281

Max.

0.9224

0.9316

0.9326

0.9317

0.9235

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us