LiveDesign ML
Your ML co-pilot, where your data becomes your design
Seamless ML model integration to transform your data into confident, actionable insights
LiveDesign ML is your complete, centralized solution for deploying and maintaining advanced machine learning models to accelerate and guide drug discovery programs. Acting as your ML co-pilot, it democratizes AI/ML model generation with a fully automated, high-throughput workflow and provides a seamless and effortless way to build, validate, and deploy models for critical tasks. By integrating directly into your central design platform, LiveDesign ML ensures your team always has access to the most accurate, scalable predictions without the burden of complex model deployment or maintenance.
Future-proof your ML-augmented projects
- High throughput & scalable Benefit from modern cloud infrastructure to model hundreds of properties and make millions of predictions.
- Impactful predictions Stay current with automated model re-training and optimization to ensure the most predictive model relevant to your evolving chemistry is always available.
- Comprehensive property profiling Access advanced capabilities to rapidly profile, filter, and prioritize compounds across all discovery programs.
- Integrated synthetic accessibility Streamline your design-make-test cycle with Retrosynth predictions to ensure molecules are synthetically viable before they are made.
Set it and forget it, ML models made accessible and comprehensive for all
- Your ML co-pilot Democratize AI/ML model generation with a fully automated workflow—just input your data and get the best-tuned model.
- Effortless deployment Get a turnkey solution that is integrated directly into your centralized data repository, eliminating complex deployment and maintenance headaches.
- Not an AI blackbox Simple dashboard visualizations and performance metrics provide full transparency, allowing your team to deploy models prospectively with confidence.
Key Features
RetroSynth
AI-driven tool that helps you move from complex chemical targets to actionable synthesis plans accurately and efficiently by performing highly exhaustive searches to predict and score optimal, scalable, and cost-efficient synthetic pathways.
Chemical property prediction
ML-powered engine that helps you prioritize the most promising leads by training custom machine learning models on your chemical data to accurately forecast the physical and chemical profiles of novel molecular structures.
TuneLabTM
TuneLabTM is a collaborative platform created to offer access to AI/ML tools leveraging Lilly’s own drug discovery models.
Schedule a demo: See the AI advantage in action
Case studies and resources
Discover how Schrödinger technology is being used to solve real-world research challenges
Webinar
Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions
White Paper
Benchmark study of DeepAutoQSAR, ChemProp, and DeepPurpose on the ADMET subset of the Therapeutic Data Commons
Related Products
DeepAutoQSAR
Automated, scalable solution for the training and application of predictive machine learning models
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