Name: Toxicity Prediction (TOPKAT) Detailed Report
Author: Stephane Vellay and Tien Luu
Version: 1.0
Created: 5/2008

Purpose: This protocol extends the "Toxicity Prediction (TOPKAT)" protocol, that predicts toxicity of ligands using TOPKAT. TOPKAT employs robust and cross-validated Quantitative Structure Toxicity Relationship (QSTR) models for assessing various measures of toxicity.
This extension provides an optional detailed report in a PDF document, with a summary per compound and one page generated per compound per toxicological endpoint.

Requirements: Pipeline Pilot 6.1, Reporting Collection, Discovery Studio 2.0 or 2.1
O/S: Windows and Linux
Limitations: none known

Keyword: TOPKAT toxicity QSTR report pdf

Installation:
1. Unizip the archive
2. Import the protocol into your user tab in the Discovery Studio or Pipeline Pilot client by dragging and dropping it in the Explorer window
3. You can either run it from Discovery Studio or Pipeline Pilot client

PS: this protocol is also available in the Discovery Studio forum