Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers.

Herein we report a virtual library of 1E+60 members, a common estimate for the size of the drug-like chemical space. The library consists of linear or cyclic oligomers forming molecules within the size range of peptide drugs. We demonstrate ligand-based virtual screening using a genetic algorithm.

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Publication Details

Journal
Open Access CRIS of the University of Bern
Published
2024-11-14
DOI
https://doi.org/10.48620/76257
Primary Topic
Species Distribution and Climate Change
Type
article
Field-Weighted Citation Impact
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article

Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers.

Open Access CRIS of the University of Bern
Species Distribution and Climate Change
article

Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers.

article en

Abstract

Herein we report a virtual library of 1E+60 members, a common estimate for the size of the drug-like chemical space. The library consists of linear or cyclic oligomers forming molecules within the size range of peptide drugs. We demonstrate ligand-based virtual screening using a genetic algorithm.

Open Access CRIS of the University of Bern
Special Olympics (US)
Openalex Percentile: Top 50%
Species Distribution and Climate Change
DOIOpen Access PDFOpenAlex
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Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers. · Open Access CRIS of the University of Bern (2024) | TGRS Research Map | TGRS