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

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

03 March 2017 | Antoine Daina, Olivier Michielin, Vincent Zoete
SwissADME is a free web tool designed to evaluate the pharmacokinetics, drug-likeness, and medicinal chemistry friendliness of small molecules. It provides robust and fast predictive models for physicochemical properties, pharmacokinetics, and other relevant parameters, accessible through a user-friendly, login-free interface at http://www.swissadme.ch. The tool supports various input methods, including molecular sketching, SMILES format, and file uploads, and allows for the computation of multiple molecules at once. Results are presented in an intuitive, interactive format, including graphical outputs such as the BOILED-Egg model for predicting passive gastrointestinal absorption and brain penetration, and the Bioavailability Radar for assessing drug-likeness. SwissADME also offers interoperability with other tools in the SwissDrugDesign suite, facilitating a comprehensive approach to drug discovery. The tool is designed to be accessible to both specialists and non-experts in cheminformatics and computational chemistry, making it a valuable resource for drug development.SwissADME is a free web tool designed to evaluate the pharmacokinetics, drug-likeness, and medicinal chemistry friendliness of small molecules. It provides robust and fast predictive models for physicochemical properties, pharmacokinetics, and other relevant parameters, accessible through a user-friendly, login-free interface at http://www.swissadme.ch. The tool supports various input methods, including molecular sketching, SMILES format, and file uploads, and allows for the computation of multiple molecules at once. Results are presented in an intuitive, interactive format, including graphical outputs such as the BOILED-Egg model for predicting passive gastrointestinal absorption and brain penetration, and the Bioavailability Radar for assessing drug-likeness. SwissADME also offers interoperability with other tools in the SwissDrugDesign suite, facilitating a comprehensive approach to drug discovery. The tool is designed to be accessible to both specialists and non-experts in cheminformatics and computational chemistry, making it a valuable resource for drug development.
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