SwissADME statistics

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SwissADME specifications

Information


Unique identifier OMICS_13724
Name SwissADME
Interface Web user interface
Restrictions to use Academic or non-commercial use
Input data Query molecules by drawing, pasting or editing them in an embedded molecular editor or by pasting their SMILES in the dedicated text box
Output data Output panels with all the values for each molecule (2D chemical structure, canonical SMILES, bioavailability radar, physicochemical properties, lipophilicity, pharmacokinetics, druglikeness, medicinal chemistry), graphical output
Output format CSV
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline Olivier Michielin <>

SwissADME in pipelines

 (2)
2017
PMCID: 5381078
PMID: 28376844
DOI: 10.1186/s40199-017-0174-0

[…] study, we evaluated in-vitro and in-silico profile of carboxylate derivatives of tributyltin (iv) complexes., admet and drug-likeliness properties were predicted using metaprint2d react, preadmet, swissadme and molsoft tools. swisstargetprediction predicted molecular targets for compounds. in-vitro bioactivity was evaluated by quantifying cytotoxicity against hepg2, thp-1 cell lines, isolated […]

2017
PMCID: 5381078
PMID: 28376844
DOI: 10.1186/s40199-017-0174-0

[…] for assessing intestinal absorption, caco-2 cell model categorizes compounds as low, middle and highly permeable corresponding to values <4 nm/sec, 4–70 nm/sec and >70 nm/sec respectively. swissadme predicts bbb penetration and gi absorption by boiled-egg method []. it also classified compounds as targets of p-glycoprotein (p-gp) efflux, inhibitors of cytochrome p450 enzymes cyp2c9, […]


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SwissADME in publications

 (9)
PMCID: 5900025
PMID: 29686657
DOI: 10.3389/fmicb.2018.00673

[…] national council for technological and scientific development (cnpq) and coordination for the improvement of higher education personnel (capes)., molinspiration.com/cgi-bin/properties , http://www.swissadme.ch/index.php , www.organic-chemistry.org/prog/peo/ , https://www.rcsb.org […]

PMCID: 5840388
PMID: 29511228
DOI: 10.1038/s41598-018-22362-1

[…] molecular orbital energies were considered for calculating the band energy gap δelumo-homo., the physicochemical property and adme-toxicity parameters of zerumbone and α-humulene were computed using swissadme to estimate the pharmacokinetics and their medicinal chemistry property. these parameters were calculated because drug development and discovery process involve assessment of absorption, […]

PMCID: 5799276
PMID: 29449808
DOI: 10.3389/fphar.2018.00008

[…] and oral toxicity vis-à-vis qualitative structure activity relationship (qsar) and virtual molecular structure activity relationship studies (sars) of the isolated compounds were carried out using swissadme () and protox ()., the molecular targets for the isolated compounds were predicted using mode of action (mod) function of the supernatural ii database (). a total of 10 molecular targets […]

PMCID: 5744427
PMID: 28382867
DOI: 10.2174/1573409913666170406145607

[…] gaining interest in computer aided drug discovery []. these methods are used here to shortlist data with suitable pharmacokinetic (adme) and toxicity profiles in early phase of ptpn1 drug discovery. swissadme [] is used to calculate the pharmacological profile (drug action/effects within an organism) of selected 15 hits from the perspective of drug discovery. this online tool is also used […]

PMCID: 5626774
PMID: 28974751
DOI: 10.1038/s41598-017-12849-8

[…] we performed calculations regarding the structural druglikeness, the functional implication to the disease and the severity of side effects for each drug., structural druglikeness is measured via swissadme (http://www.swissadme.ch/), an online tool which takes as input the structural description (simplified molecular-input line-entry system: smiles) of a drug and returns (among other chemical […]


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SwissADME institution(s)
SIB Swiss Institute of Bioinformatics, Lausanne, Switzerland; Ludwig Institute for Cancer Research, Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland; Department of Oncology, University of Lausanne and Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland

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