Concepedia

Accelerated drug discovery by rapid candidate drug identification

Fredrik Bergström, Bo Lindmark

Drug Discovery Today · 2019 · 35 citations · 16 references

DOI

Concepts

References

16

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

Marwin Segler, Thierry Kogej, Christian Tyrchan et al. · ACS Central Science · 2017 · 1.7K citations · Full text

, , +3

Molecular de-novo design through deep reinforcement learning

Marcus Olivecrona, Thomas Blaschke, Ola Engkvist et al. · Journal of Cheminformatics · 2017 · 1.4K citations · Full text

, , +14

Ligand efficiency indices as guideposts for drug discovery

C ABADZAPATERO · Drug Discovery Today · 2005 · 523 citations

, , +14

Application of Generative Autoencoder in <i>De Novo</i> Molecular Design

Thomas Blaschke, Marcus Olivecrona, Ola Engkvist et al. · Molecular Informatics · 2017 · 404 citations · Full text

, , +17

Ligand Binding Efficiency: Trends, Physical Basis, and Implications

Charles H. Reynolds, Brett A. Tounge, Scott D. Bembenek · Journal of Medicinal Chemistry · 2008 · 318 citations

, , +15