LiveDesign®

Web-based enterprise informatics for accelerated drug design

LiveDesign is an enterprise informatics platform that enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform.

Cloud-based enterprise informatics for accelerated drug design

 

LiveDesign for the Med Chemist

Intuitive, user-friendly tools for the medicinal chemist to sketch virtual molecules, run computational models and view 3D results. Search for experimental data, add custom formulas, add MPO calculations and flag interesting compounds for modeler follow-up.

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LiveDesign for the Comp Chemist

Comprehensive, expert tools for the computational chemist to import compounds into Maestro to run FEP+, upload model results to LiveDesign to share with the entire team, and compare model predictions against experimental results.

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LiveDesign for the Project Manager

Complete, detailed overview to view project trajectory, performance against cutoffs and number of compounds synthesized. Search the entire project to view the best compounds in detail.

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Benefits of LiveDesign for Drug Discovery

BETTER CANDIDATES, FASTER

Capture ideas alongside experimental and modeling data. Create and store new virtual compounds in a centralized database, evaluate through advanced models, and prioritize new designs.

ACCESS TO ALL INFORMATION

Integrate biological data and model results across federated corporate databases, apply sophisticated cheminformatics to analyze all data at once, and progress compounds faster.

BOOST RAPID ITERATION

Drive predictions and designs using advanced physics-based methods paired with machine learning techniques to rapidly improve prediction accuracy.

DRIVE PREDICTIONS & DESIGNS WITH MACHINE LEARNING

EMPOWERED COLLABORATION

Work together with remote team members in real-time. Share ideas, test, revise, and advance chemical series without losing track of your work.

WORK SIDE BY SIDE, WHEREVER YOU ARE

Access all project information effortlessly. Subscribe to status changes, set up alerts, and access the most up-to-the-moment information instantly.

COMMUNICATE SEAMLESSLY

Capture decisions and hypotheses to improve collective SAR understanding. Drive team-wide decisions to accelerate compound progression.

COLLECTIVE LEARNING AND DECISIONS

EXPERT MODELING FOR ALL

Upload tightly controlled models and empower teams to seamlessly evaluate new ideas.

EXPERT MODELING THAT'S EASY TO USE

Disseminate model results in a central repository for searching, sharing, and compound design prioritization.

SHARE MODEL RESULTS

Funnel compounds through increasingly sophisticated physics-based models to triage design ideas.

FACILITATE COMPUTATIONAL SCREENING CAMPAIGNS

The Schrödinger Platform

LiveDesign is the linchpin of the Schrödinger Drug Discovery platform, breaking down traditional silos to utilize the power of real-time collaborative design and project management at large scale computational throughput.

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Work Wherever You Are

LiveDesign enables collaboration—essential for drug discovery—across offices, across sites, and across time zones. In an increasingly distributed workforce, scientists need to keep work moving when in-person communication isn't an option. By collaborating within a single platform, progress accelerates.

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Full Compound Progression In One Enterprise Platform

IDEA GENERATION
Generate new virtual compounds with a variety of computational tools. Query, analyze, and visualize existing data to understand SAR and drive design cycles.
SYNTHESIS TRACKING
Easily track compound synthesis status in a single source, with notifications provided when compounds move to the next phase.
EXPERIMENT TRACKING
Monitor experimental progress and review results in a single report alongside modeling predictions.
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EXPERT MODELING
Rapidly test new ideas with advanced physics-based modeling. Examine the results of modeling with easy integration of Maestro or any visualization and analysis tool via a rich API.
LEARN SAR & PROGRESS COMPOUNDS
Compare experimental test results with model predictions in customizable Forms views to determine SAR and refine models. Review ideas and project progression to guide future design cycles.

Resources

Learning and Collaborating From Home

Dr. Jenny Chambers discusses how LiveDesign can help workers around the world who were suddenly working from home.

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How I Learned Drug Discovery Could Be Spontaneous, Productive, and Even Addictive

As a medicinal chemist, Dr. Wayne Tang was surprised at all the ways LiveDesign improved collaboration on his team.

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LiveDesign

Get an overview of the various ways that LiveDesign accelerates drug design.

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Keep up-to-date with our improvements!

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Accelerate the drug discovery

and design process with LiveDesign®

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