AutoQSAR 2018-1

AutoQSAR democratizes creation and application of QSAR models through automation, following a best practices QSAR modeling workflow. With AutoQSAR, high-quality, predictive QSAR models can be created and employed with confidence by QSAR experts and non-experts alike. The best practices workflow includes descriptor generation, feature selection, creation of a large number of QSAR models from several methods including kernel-based partial least squares, naive bayes, and ensemble-based recursive partitioning with different training/test set splits, and ranking of QSAR models by performance. Predictions can be made from a consensus of the best models or from a particular model.

• 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.