… To illustrate both de novo design and lead optimization, we here apply AutoGrow4 to the …
AutoGrow4 produces drug-like compounds with better predicted binding affinities than FDA-…

… de novo drug design algorithm that outperforms baseline methods consistently through thorough
empirical studies on optimizing … Autogrow 4.0, without using other tricks such as elitism. …

… AutoGrow4 is a free and open-source program for de novo drug design that uses a genetic
algorithm … has been successfully applied to drug discovery, lead optimization, and compound …

… Autogrow4 was selected for the design of drugs to target GABA-T in this work, to utilize …
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization. …

… such as those associated with de novo drug discovery (43). These … We note that AutoGrow
is open source, and we encourage … As evolutionary algorithms are often non-deterministic, we …

… We emphasize that 1D/2D ligand-centric drug design methods can be used in … AutoGrow4,
a 2D molecular graph-based genetic algorithm, dominates SBDD in terms of optimization …

… In this paper we describe LEADD, an evolutionary algorithm (EA) for de novo drug design
and optimization. EAs have a rich history of being applied to DNDD [16, 24,25,26,27, 30, 34,35,…

… encoded by a genetic algorithm and tabu search is used to find optimal linkers for … AutoGrow4
35 is a large open-source GA-based package, fit for both de novo and lead optimization …

… Concerning this, the open-source software Autogrow, … a genetic algorithm and a molecular
docking software for de … , we performed both a de novo and a lead-optimization run (as …

… It is free and open source, available at http://istar.cse.cuhk.… AutoGrow utilizes an evolutionary
algorithm in conjunction … To guide ligand optimization, AutoGrow 3.0 uses the rules of click …