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Steven M Kearnes

Explore the profile of Steven M Kearnes including associated specialties, affiliations and a list of published articles. Areas
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Articles 3
Citations 72
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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...