Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use

Mellor, CL, Robinson, RLM, Benigni, R et al. (7 more authors) (2019) Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use. Regulatory Toxicology and Pharmacology, 101. pp. 121-134. ISSN 0273-2300

Abstract

Metadata

Authors/Creators:
  • Mellor, CL
  • Robinson, RLM
  • Benigni, R
  • Ebbrell, D
  • Enoch, SJ
  • Firman, JW
  • Madden, JC
  • Pawar, G
  • Yang, C
  • Cronin, MTD
Copyright, Publisher and Additional Information: © 2018 Elsevier Inc. This is an author produced version of a paper published in Regulatory Toxicology and Pharmacology. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Read-across; Toxicity; Molecular fingerprint; Regulatory acceptance; Molecular similarity; Tanimoto coefficient; In silica
Dates:
  • Published: February 2019
  • Accepted: 12 November 2018
  • Published (online): 20 November 2018
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering (Leeds) > School of Chemical & Process Engineering (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 11 Sep 2019 15:15
Last Modified: 11 Sep 2019 15:15
Status: Published
Publisher: Elsevier Inc.
Identification Number: https://doi.org/10.1016/j.yrtph.2018.11.002
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Embargoed until: 20 November 2019

Filename: Similarity-Based Read Across Revision Clean 16 Nov 18 for symplectic.pdf

Licence: CC-BY-NC-ND 4.0

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