Application NoteDecember 30, 2025
Peptide-Tools–Web Server for Calculating Physicochemical Properties of Peptides
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Andrey I. Frolov*
Andrey I. Frolov
Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg 431 83, Sweden
*Email: [email protected] Justin Morley
Justin Morley
Cheminformatics, Augmented DMTA Platform, R&D IT, AstraZeneca, Gothenburg 431 83, Sweden Ana Gomes dos Santos
Ana Gomes dos Santos
Advanced Drug Delivery, Pharmaceutical Sciences, BioPharmaceuticals R&D, AstraZeneca, Cambridge CB2 8DU, U.K. Sivaneswary Genapathy
Sivaneswary Genapathy
Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Cambridge CB2 8DU, U.K. Gian Marco Ghiandoni
Gian Marco Ghiandoni
Augmented DMTA Platform, R&D IT, AstraZeneca, Cambridge CB2 8DU, U.K.
Journal of Chemical Information and Modeling
Cite this: J. Chem. Inf. Model. 2026, 66, 1
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Published December 30, 2025
brief-report
Copyright © 2025 The Authors. Published by American Chemical Society
Abstract
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Peptides play an increasingly important role in medicine and materials science. Accurate estimation of peptide physicochemical parameters is essential for their design, purification, and analysis. In this manuscript, we present Peptide-Tools, a freely accessible web server with an intuitive user interface for calculating isoelectric points and evaluating common chemical stability liabilities in both natural and modified peptides. Peptide-Tools accommodates a variety of input formats and can account for the ionization states of noncanonical amino acids and other molecular fragments. The platform also computes peptide extinction coefficients at three wavelengths (205, 214, and 280 nm), with this functionality currently available only for canonical amino acids. The server relies on a command-line tool that can be installed locally. We anticipate that Peptide-Tools will streamline peptide optimization and support routine tasks in chemical and analytical laboratories.
ACS Publications
Copyright © 2025 The Authors. Published by American Chemical Society
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Journal of Chemical Information and Modeling
Cite this: J. Chem. Inf. Model. 2026, 66, 1
Click to copy citationCitation copied!
Published December 30, 2025
Copyright © 2025 The Authors. Published by American Chemical Society
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