Consult powerful ADME and Tox prediction systems on-line, from your office, your lab,
or a project meeting
ADME/Tox WEB is a scalable version of ADME Boxes and
Tox Boxes designed to fit into departmental and corporate collaborative networks.
Users can access the application at any time and from any computer on the organization’s intranet without additional
installation. ADME/Tox WEB has the flexible modular architecture of ADME and Tox Boxes while also offering you powerful
interface customization capabilities and direct programmatic access to its modules.
Benefits:
- Run ADME and Tox Boxes on any computer, no installation required
- Keep the same elegant, hassle-free user interface and world-class predictive power of ADME and Tox Boxes
- Instantly display a look-up of the most similar structures from the training set with literature references and
experimental property values
- Use its meticulously designed and dependable algorithms to your advantage
- Design proprietary user interfaces depending on the task at hand
- Access its prediction engine directly from within your scripts or intranet applications
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Features:
- Contains all the ADME Boxes and Tox Boxes predictive
functionality
- Predicts all of the following:
ADME: overall oral bioavailability, pKa, logD, P-gp substrate and
inhibitor specificity, solubility in pure water and in buffer, Abraham solvation parameters, active transport
properties, absorption, physicochemical properties;
Toxicity: acute toxicity (mouse and rat),
genotoxicity, health effects (blood, cardiovascular, gastrointestinal, kidney, liver, lungs)
- Has the standard ADME Boxes and Tox Boxes user interface
- Supports user clipboard copy-and-paste, interactive dictionary lookup of compounds with literature references
and experimental property values
- Reads SMILES, *.mol, *.skc, *.sk2, *.cdx files from chemical drawing programs (e.g. Isis/Draw, ChemDraw,
ChemSketch)
- Batch calculations can be run from within user scripts or custom graphical interfaces by directly communicating
with the modules via an open protocol
- Compatible with Windows, Mac, Linux/UNIX
Business features:
- Scales to an organization-wide number of simultaneous users
- Platform-independent on the client side, runs in a browser
- Simplified license management, access control and upgrade maintenance
- Can be run as an automation server filling in property predictions into existing
workflows via an open communication protocol
- Custom end-user interfaces can be designed depending on the task at hand by processing the compute server’s XML
output as desired
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