Virtual Screening Web Service
Virtual, novel hits from a billion-compound library delivered in one week
Increase the likelihood of finding diverse and novel virtual hits in your virtual screening campaigns
The Virtual Screening Web Service delivers secure access to industry-leading hit identification methods and burst computing power to perform ultra-large screens quickly and efficiently.
Successful virtual screens produce chemically diverse molecules with affinity to a target protein
Maximize the diversity of hits by screening ultra-large-scale purchasable compound libraries through the combined power of physics-based methods and machine learning.
Access industry-leading virtual screening workflows in the cloud
Schrödinger’s Virtual Screening Web Service accommodates the demands of teams with occasional large-scale screening needs but who lack the infrastructure or technical resources to screen in-house efficiently.
Identify novel hits from libraries of >1B compounds in a week
Fully automated screening workflow
Benefit from on demand cloud-based workflows with the click of a button.
Built-in scientific validation
Ensure desired screening goals through a gated, built-in pilot study.
Results in one week
Keep projects on schedule by leveraging the power of massive parallel compute environments.
Easily sourced compounds
Use vendor compound IDs associated with every virtual hit to easily purchase compounds.
Secure, exclusive cloud server
Ensure legal and security compliance through a dedicated data server with enterprise-grade security.
Diverse and novel IP discovery
Access over a billion compounds, allowing exploration of more avenues for program progression.
Access industry-leading 3D docking workflows amplified by machine learning
Apply 3D docking techniques
Find novel scaffolds beyond training sets using extrapolative 3D screening methods. 2D screening methods have prediction limitations, while 3D docking methods can extrapolate into novel chemical space.
Accelerate screens with machine learning
Leverage machine learning to accelerate 3D docking methods. Accurate docking methods coupled with machine learning techniques make 1+ billion compounds screens straightforward and cost-effective.
Benefit from parallel screening approaches
Use multiple virtual screening approaches for the highest chemical diversity. Different screening technologies are shown to produce unique ligand scaffolds.
How it Works:
Automate screens of more than a billion purchasable compounds virtually
- Upload one or more virtual screening inputs which include the docking model, shape screening probes, and known active compounds.
- Select multiple libraries to screen including one billion library.
- Review results of pilot screen to assess likelihood of active active learning Glide finding high quality hits for your target.
- Launch the fully automated ultra-large-scale screen once satisfied with pilot screen results.
- Receive thousands of virtual hits within one week and access all data from an enterprise-grade secure server.
Related Products
Learn more about the related computational technologies available to progress your research projects.
Shape Screening
Efficient ligand-based virtual screening of millions to billions of molecules
Publications
Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.
Training & Resources
Online certification courses
Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.
Tutorials
Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.
Other Resources