Scientific article
OA Policy
English

SwissADME : a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Published inScientific reports, vol. 7, no. 1, 42717
First online date2017-03-03
Abstract

To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur. Drug development involves assessment of absorption, distribution, metabolism and excretion (ADME) increasingly earlier in the discovery process, at a stage when considered compounds are numerous but access to the physical samples is limited. In that context, computer models constitute valid alternatives to experiments. Here, we present the new SwissADME web tool that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar. Easy efficient input and interpretation are ensured thanks to a user-friendly interface through the login-free website http://www.swissadme.ch. Specialists, but also nonexpert in cheminformatics or computational chemistry can predict rapidly key parameters for a collection of molecules to support their drug discovery endeavours.

Keywords
  • Drug Discovery / methods
  • Small Molecule Libraries / adverse effects
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacokinetics
  • Small Molecule Libraries / pharmacology
  • Software
Affiliation entities Not a UNIGE publication
Citation (ISO format)
DAINA, Antoine, MICHIELIN, Olivier, ZOETE, Vincent. SwissADME : a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. In: Scientific reports, 2017, vol. 7, n° 1, p. 42717. doi: 10.1038/srep42717
Main files (1)
Article (Published version)
Identifiers
Additional URL for this publicationhttps://www.nature.com/articles/srep42717
Journal ISSN2045-2322
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240downloads

Technical informations

Creation28/11/2025 17:17:16
First validation10/02/2026 15:35:17
Update10/02/2026 15:35:17
Status update10/02/2026 15:35:17
Last indexation10/02/2026 15:35:18
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