- Enamine: Stock Screening Compounds Collection
- MilliporeSigma: Aldrich Market Select
- MolPort: Screening Compound Database
- Mcule: Mcule In Stock Purchasable Database
Jump-start your virtual screens with prepared databases of commercially available small molecules
Save compute time and effort using pre-prepared databases for immediate deployment with a variety of structure-based and ligand-based virtual screening technologies including Glide, Active Learning Glide, Phase, Shape-GPU, and QuickShape. Schrödinger has partnered with Enamine, MilliporeSigma, MolPort, WuXi, and Mcule to provide databases of fragments, lead-like, near drug-like, and drug-like compounds ranging from millions to billions of compounds encompassing a vast chemical space.
Ready inputs for ligand- and structure-based hit discovery
Large commercial libraries (up to 10 million compounds)
Ultra-large libraries (up to 6.5 billion compounds)
- Enamine REAL
- WuXi LabNetwork
- Mcule Ultimate
Diverse screening technologies and compatible libraries
| Phase | Shape | QuickShape | Glide | Active Learning Glide | |
|---|---|---|---|---|---|
| Enamine Screening | ✔ | ✔ | ✔ | ✔ | ✔ |
| Millipore Sigma | ✔ | ✔ | ✔ | ✔ | ✔ |
| MolPort | ✔ | ✔ | ✔ | ✔ | ✔ |
| Mcule Screening | ✔ | ✔ | ✔ | ✔ | ✔ |
| Enamine REAL | ✔ | ✔ | |||
| WuXi | ✔ | ✔ | |||
| Mcule Ultimate | ✔ | ✔ |
Case studies & webinars
Discover how Schrödinger technology is being used to solve real-world research challenges.
Dramatically improving hit rates with a modern virtual screening workflow
Expect success: Modern virtual screening technologies that actually deliver high-quality, developable hits
Active Learning Glide – Screen billions of compounds efficiently and cost effectively
Related Products
Learn more about the related computational technologies available to progress your research projects.
Phase
An easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design
Shape Screening
Efficient ligand-based virtual screening of millions to billions of molecules
Virtual Screening Web Service
Virtual, novel hits from a billion-compound library delivered in one week
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