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Machine learning methods in chemoinformatics

John B. O. Mitchell • Wiley Interdisciplinary Reviews Computational Molecular Science (2014)

Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics ...

OPENALEX cc-by DOI: https://doi.org/10.1002/wcms.1183 PMC: 4180928

Artificial Intelligence in Drug Design

Gerhard Heßler, Karl H. Baringhaus • Molecules (2018)

Artificial Intelligence (AI) plays a pivotal role in drug discovery. In particular artificial neural networks such as deep neural networks or recurrent networks drive this area. Numerous applications in property or activity predictions like...

OPENALEX cc-by DOI: https://doi.org/10.3390/molecules23102520 PMC: 6222615