Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Journal: Drug discovery today

Published Date: Mar 22, 2018

Abstract

AI comes to lead optimization: medicinal chemistry in all disease areas can be accelerated by exploiting our pre-competitive knowledge in an unbiased way.

Authors

Edward J Griffen

MedChemica Ltd, Biohub, Alderley Park, Macclesfield SK10 4TG, UK. Electronic address: ed.griffen@medchemica.com.
Alexander G Dossetter

MedChemica Ltd, Biohub, Alderley Park, Macclesfield SK10 4TG, UK.
Andrew G Leach

Liverpool John Moores University, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, UK.
Shane Montague

MedChemica Ltd, Biohub, Alderley Park, Macclesfield SK10 4TG, UK.

Keywords

Animals Artificial Intelligence Chemistry, Pharmaceutical Data Mining Databases, Chemical Drug Discovery High-Throughput Screening Assays Humans Molecular Structure Pharmaceutical Preparations Structure-Activity Relationship

External Resources

View on PubMed Access via DOI PubMed (29577971)

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Abstract

Authors

Keywords

External Resources

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