Steven M Kearnes
Overview
Explore the profile of Steven M Kearnes including associated specialties, affiliations and a list of published articles.
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Articles
3
Citations
72
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0
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Recent Articles
1.
Mercado R, Kearnes S, Coley C
J Chem Inf Model
. 2023 Jul;
63(14):4253-4265.
PMID: 37405398
The past decade has seen a number of impressive developments in predictive chemistry and reaction informatics driven by machine learning applications to computer-aided synthesis planning. While many of these developments...
2.
Kearnes S, Maser M, Wleklinski M, Kast A, Doyle A, Dreher S, et al.
J Am Chem Soc
. 2021 Nov;
143(45):18820-18826.
PMID: 34727496
Chemical reaction data in journal articles, patents, and even electronic laboratory notebooks are currently stored in various formats, often unstructured, which presents a significant barrier to downstream applications, including the...
3.
Kearnes S, Haque I, Pande V
J Chem Inf Model
. 2013 Dec;
54(1):5-15.
PMID: 24289274
Molecular similarity has been effectively applied to many problems in cheminformatics and computational drug discovery, but modern methods can be prohibitively expensive for large-scale applications. The SCISSORS method rapidly approximates...