A simple similarity metric for comparing synthetic routes

A simple method to calculate a similarity metric between two synthetic routes, based on bonds formed and grouping of atoms in the target compound.

Authors

Samuel Genheden (ORCID: https://orcid.org/0000-0002-7624-7363)
Jason D. Shields (ORCID: https://orcid.org/0000-0002-9015-8594)

Institutions

AstraZeneca (Sweden) (SE)
AstraZeneca (United States) (US)

Publication Details

Journal: Digital Discovery
Published: 2024-11-06
DOI: https://doi.org/10.1039/d4dd00292j
Citations: 8
Primary Topic: Graph Theory and Algorithms
Type: article
Field-Weighted Citation Impact: 1.99

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article

A simple similarity metric for comparing synthetic routes

Samuel Genheden, Jason D. Shields

Nov 6, 2024

8 citations

Digital Discovery

Graph Theory and Algorithms

1.99

article

A simple similarity metric for comparing synthetic routes

Samuel Genheden, Jason D. Shields

November 6, 2024article en

8 citations

Abstract

A simple method to calculate a similarity metric between two synthetic routes, based on bonds formed and grouping of atoms in the target compound.

Digital DiscoveryVol. 4(1)

AstraZeneca (Sweden) (SE), AstraZeneca (United States) (US)

Openalex Percentile: Top 12%

Graph Theory and Algorithms

1.99

DOI Open Access PDF OpenAlex

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A simple similarity metric for comparing synthetic routes — Samuel Genheden, Jason D. Shields · Digital Discovery (2024) | TGRS Research Map | TGRS