Symyx accelerates lead generation by delivering unique answers to bioactivity and metabolism/toxicology questions, when and how scientists need them, in the context of their laboratory workflows–saving time, reducing costs, and enhancing decision confidence.

One of the greatest challenges in getting a product to market is optimizing for the best product profile. During the optimization process, it is critical to gain insight into metabolic pathways, fate, possible toxic intermediates and competitive profiles. Symyx provides a range of databases providing information that enables scientists to improve and accelerate the design and selection of products that will go to market.

Using Symyx databases, scientists can explore pharmacophores and structure-activity relationships (SARs) for lead compounds, select scaffolds and R-groups for combinatorial libraries, compare eco-toxicology and biodegradation profiles, and monitor industry trends. Conduct targeted structure-based design by applying data about metabolic fate and toxic effects earlier in the discovery process.

Available databases include:

• Comprehensive Medicinal Chemistry (CMC) – 3D models and important biochemical properties including drug class, logP, and pKa values for over 8,400 pharmaceutical compounds from 1900 to the present.
  
  
• MDDR – Current bioactivity findings for newly launched and developmental drugs, including calculated properties based on chemical structures and searchable 3D models.
  
  
• Metabolite – Metabolic fates of foreign compounds introduced to living systems are stored as searchable schemes of biotransformations leading from the parent compound to isolated metabolites.
  
  
• National Cancer Institute Databases – The NCI 127K, Plated Compounds, AIDS, and Cancer databases offered as a public service to Symyx customers.
  
  
• RTECS – A compendium of toxicological data.
  
  
• Toxicity – A structure-searchable bioactivity database of toxic chemical substances containing data from in vivo and in vitro studies.
  
  
• Integrated third party databases – Symyx provides fast, simple and easy access to a wealth of bioactivity content with better informed bioactivity investigations.

The above databases can be accessed using the following applications:

• DiscoveryGate online web application
• Isentris for in-house hosting and access
• ISIS for in-house hosting and access
• DiscoveryGate Web Service for application developers