SCHRODINGER Partner's Website

Field-Based QSAR

Field-Based QSAR: Discover and optimize new lead compounds using quantitative predictions of binding-site chemistry
Field-Based QSAR opens up new possibilities in ligand-based drug discovery projects. Supplied with an aligned training set of active and inactive compounds, Field-Based QSAR predicts drug activity on the basis of either force fields or Gaussian fields that describe ligand chemistry.

The Advantages of Field-Based QSAR
Quantitative structure-activity relationships (QSAR) have long been a favorite way for researchers to optimize lead compounds. However, traditional QSAR models typically incorporate only crude approximations of 3D structure.
Field-Based QSAR disposes of this limitation. Beginning with a set of aligned ligands that have known activities, Field-Based QSAR is capable of inferring how the ligand’s electrostatic, hydrophobic, and steric fields result in biological activity or inactivity.
Like all ligand-based approaches, Field-Based QSAR requires no knowledge of receptor structure. Ideal for both lead discovery and lead optimization, Field-Based QSAR is capable of quickly turning existing data sets into useful QSAR models, helping researchers to leapfrog around patent space, synthetic roadblocks, and ADME restrictions.

• Partner Product Website

• Category Engineering
• Highlights

  Rancher Catalog

  This icon indicates that the software is included in the Rancher Catalog.

  Rancher Extension

  This icon indicates that the software is a Rancher Extension.

  Cloud-Native Network Function

  This icon indicates that the software possesses Cloud-Native Network Functionality.

  SUSE Edge

  This partner product is certified for SUSE Edge.

  SUSE Telco Cloud

  This partner product is certified as part of SUSE Telco Cloud.

  High Availability

  This icon indicates that the software provider has flagged the compatibility of the application with the SUSE High Availability extension. Success may include the application running in an HA environment, or it may include extensions to the application to exploit and integrate with the HA feature. Please see the software provider's web site for more details.

  Integrated System Available

  This icon indicates that a pre-built, pre-configured integrated version of the application is available. This may also be called an appliance and may be packaged as a hardware appliance, a software appliance, or a virtual appliance.

  Virtualization Ready

  This icon indicates that the software provider supports the application in any of the virtualized environments that work with SUSE Linux Enterprise. These may include one or more of Xen, KVM, VMWare, or other hosting environments. Also note that virtualization support can mean that the solution can be used in the cloud environment. Please see the software provider's web site for more details concerning which environment(s) are supported by the provider.