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Virtual Screening Web Service

Virtual, novel hits from a billion-compound library delivered in one week

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.

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

Increase the likelihood of finding diverse and novel virtual hits in your virtual screening campaigns

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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 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

Dive deeper with online learning and publications

High-Throughput Virtual Screening for Hit Finding and Evaluation
Schrödinger's online course, High-Throughput Virtual Screening for Hit Finding and Evaluation, will teach best practices for virtual screening of large ligand libraries
Efficient Exploration of Chemical Space with Docking and Deep-Learning
Yang, Y.; Yao, K.; Repasky, M. P.; Leswing, K.; Abel, R.; Shoichet, B.; Jerome, S.

Propel projects forward with Schrödinger’s Virtual Screening Web Service

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