QuickCalc药物开发高通量ADME分析软件

QuickCalc software powered by Gubbs Inc GMSU was developed to reduce the bottleneck of data processing. The software automates the assessment of data from high-throughput screening by integrating the chromatographic peaks, creating reports and storing the data in a database – turning data into knowledge.

QuickCalc, used in conjunction with Thermo Scientific QuickQuan™ high-throughput acquisition software, provides an integrated, powerful improvement to data processing and method setup. In the first part of the workflow, QuickQuan provides the means to rapidly automate drug compound method development and LC-MS/MS analysis. Subsequently, QuickCalc converts raw time and concentration data into information for review by ADME scientists.

QuickCalc provides laboratories with ADME data from the automated processing, LC-MS/MS analysis, and data recording of drug candidates. All the raw data, as well as the calculated parameters, are stored in a relational database for rapid querying and review.

Three modules enable researchers to accurately and efficiently process the sample data:

• Hepatic Clearance Calculator for microsomes, hepatocytes, S9
• Permeability Calculator for CACO-2, PAMPA
• PK Calculator for toxicokinetic parameters