Cover Feature: The IMS Library: from IN‐Stock to Virtual (ChemMedChem 20/2024)
The cover represents an approach to creating a diverse chemical library with unique scaffolds. Combining the expertise of chemoinformaticians, organic synthetic chemists, and medicinal chemists, two libraries were developed. Starting with over 10000 in-stock compounds, the essential chemical library (eIMS) consists of 578 original and diverse compounds on plates, ready for high-throughput screening. Additionally, using chemoinformatics tools the virtual chemical library (vIMS) featuring 821070 unique, original, virtual compounds was created. This emphasized efficient hit-to-lead optimization, based on established synthetic pathways and medicinal chemistry guidelines. More details can be found in article 10.1002/cmdc.202400381 by Esther Kellenberger and co-workers. Cover design by Teodora Djikic-Stojsic.
Authors
- Esther Kellenberger (ORCID: https://orcid.org/0000-0002-9320-4840)
- Claire Marsol
- Clothilde Le Guen (ORCID: https://orcid.org/0000-0002-1873-5000)
- Gaëlle Blond (ORCID: https://orcid.org/0000-0001-9144-0295)
- Frédéric Bihel (ORCID: https://orcid.org/0000-0002-4122-0929)
- Dominique Bonnet (ORCID: https://orcid.org/0000-0002-8252-9199)
- Teodora Djikić (ORCID: https://orcid.org/0000-0002-6577-7465)
- Guillaume Bret (ORCID: https://orcid.org/0000-0001-5434-0906)
- Mihaela Gulea (ORCID: https://orcid.org/0000-0002-2945-0078)
- Martine Schmitt (ORCID: https://orcid.org/0000-0002-8723-9502)
- Nicolas Girard (ORCID: https://orcid.org/0000-0003-4610-9872)
- Séverine Schneider (ORCID: https://orcid.org/0000-0003-1332-6088)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Laboratoire d'Innovation Thérapeutique (FR)
- Université de Strasbourg (FR)
Publication Details
- Journal
- ChemMedChem
- Published
- 2024-10-16
- DOI
- https://doi.org/10.1002/cmdc.202482002
- Primary Topic
- History and advancements in chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00