Concepedia

Artificial Intelligence–Enabled De Novo Design of Novel Compounds that Are Synthesizable

Govinda Bhisetti, Cheng Fang

Methods in molecular biology · 2021 · 24 citations · 29 references

DOI

Concepts

References

29

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

ACS Central Science · 2018 · 3K citations · Full text

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A Deep Learning Approach to Antibiotic Discovery

Jonathan Stokes, Kevin Yang, Kyle Swanson et al. · Cell · 2020 · 2.2K citations · Full text

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud et al. · Cambridge University Engineering Department Publications Database · 2018 · 2K citations · Full text

, , +16

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Peter Ertl, Ansgar Schuffenhauer · Journal of Cheminformatics · 2009 · 1.9K citations · Full text

, , +12

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

Alex Zhavoronkov, Yan A. Ivanenkov, Alex Aliper et al. · Nature Biotechnology · 2019 · 1.5K citations

, , +14