Lead Optimization

The Lead Optimization process evaluates the properties of various lead compounds and provides information to help select the leads with the greatest potential to be developed into effective, safe therapeutic agents. Accelrys' drug discovery software includes a comprehensive offering of modeling and simulation tools that provide critical insight to the properties of potential drug candidates, allowing researchers to refine the lead structures and make better-informed decisions. A sophisticated platform and cutting-edge workflow technology enables organizations to link a broad range of complimentary tools for further analysis, reporting, and more.

Lead Optimization Software and Services

• Reagent Acquisition & Management
• Structure-based Design
• Fragment-based Optimization
• X-Ray Structure Determination
• Medicinal Chemistry Driven Optimization
• QSAR & SAR
• Compound Registration

Solutions for Improving Workflows, Data Management, and Reporting

• Corporate and Research IT - integrate and customize data sources and applications; deploy best practices
• Data Mining and Analysis - mine, analyze, and report diverse types of data at once
• Imaging Services - perform sophisticated image analysis and manage image data
• Informatics - manage data across the enterprise
• Reporting and Dashboarding - access real-time, interactive data updates from across the R&D workflow