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OCELOT Chemical space exploration results database

OCELOT Chemical space exploration results database
OCELOT Chemical space exploration results database
Molecular SMILES, descriptors and calculated properties generated and used during research for the doctoral thesis: Dickman, J. T. (2025). Assessing synthetic difficulty in computational organic materials discovery. University of Southampton.
University of Southampton
Dickman, Joshua Thomas
0c21afcd-a554-4a69-ab08-b9e1f2c57ce5
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Johal, Jay
8e4d1cd8-2b29-42b4-8e32-0861e022dec8
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Taylor, Chris
95bebf3a-a98a-453c-acb6-aebc451bd5a8
Gigli, Lucia
b29e2548-cddd-406e-ac77-4fc6f8c66be5
Dickman, Joshua Thomas
0c21afcd-a554-4a69-ab08-b9e1f2c57ce5
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Johal, Jay
8e4d1cd8-2b29-42b4-8e32-0861e022dec8
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Taylor, Chris
95bebf3a-a98a-453c-acb6-aebc451bd5a8
Gigli, Lucia
b29e2548-cddd-406e-ac77-4fc6f8c66be5

Dickman, Joshua Thomas (2025) OCELOT Chemical space exploration results database. University of Southampton doi:10.5258/SOTON/D3745 [Dataset]

Record type: Dataset

Abstract

Molecular SMILES, descriptors and calculated properties generated and used during research for the doctoral thesis: Dickman, J. T. (2025). Assessing synthetic difficulty in computational organic materials discovery. University of Southampton.

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GA_database_pure.db - Dataset
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More information

Published date: 2025
Learn more about School of Chemistry research

Identifiers

Local EPrints ID: 506519
URI: http://eprints.soton.ac.uk/id/eprint/506519
DOI: doi:10.5258/SOTON/D3745
PURE UUID: fa4bd651-d924-4dc7-a93c-611d005a0801
ORCID for Graeme Day: ORCID iD orcid.org/0000-0001-8396-2771
ORCID for Jay Johal: ORCID iD orcid.org/0000-0001-8489-4803
ORCID for Roohollah Hafizi: ORCID iD orcid.org/0000-0001-6513-4446
ORCID for Chris Taylor: ORCID iD orcid.org/0000-0001-9465-5742
ORCID for Lucia Gigli: ORCID iD orcid.org/0000-0003-1642-4898

Catalogue record

Date deposited: 11 Nov 2025 17:33
Last modified: 12 Nov 2025 03:09

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Contributors

Creator: Joshua Thomas Dickman
Research team head: Graeme Day ORCID iD
Contributor: Jay Johal ORCID iD
Contributor: Roohollah Hafizi ORCID iD
Contributor: Chris Taylor ORCID iD
Contributor: Lucia Gigli ORCID iD

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