LiveDesign

LiveDesign, developed by Schrödinger, is a cloud-native, all-in-one digital molecular design and discovery platform built for modern drug discovery teams. It serves as a complete virtual lab environment that unifies in silico predictions, experimental data, computational modeling tools, and team collaboration into a single interface — supporting research across small molecules, biologics, and materials science.

By centralizing project data and predictive workflows, LiveDesign eliminates data silos and empowers entire discovery organizations — from medicinal and computational chemists to biotherapeutics researchers, program managers, external partner managers, and research IT — to make faster, better-informed decisions throughout the design-make-test-analyze (DMTA) cycle.

Core Platform Capabilities

• Centralized access to all project data, including both experimental results and in silico predictions, in real time
• Cutting-edge computational modeling tools integrated directly into the discovery workflow
• Collaborative decision-making technology enabling teams to crowdsource ideas and interactively revise design strategies from anywhere
• Support for small molecule, biologics, and materials science research modalities
• Customizable dashboards for analyzing whole-project data or individual molecules
• LiveReports for adding compounds, data, plots, and more in a structured, shareable format
• Forms View for visualizing data in flexible, user-defined layouts
• Formula columns and freeform columns for calculating, analyzing, and transforming data using custom expressions and built-in functions
• Multi-Parameter Optimization (MPO) and SAR analysis tools to drive compound progression
• Automated series tagging using formula functions to label new design ideas automatically

Medicinal Chemistry: Full In Silico DMTA Cycles

• Capture design ideas and hypotheses directly within the platform
• Utilize powerful cheminformatics and predictive modeling to digitally test ideas and prioritize synthesis decisions
• Track compound progression with live, continuously updated data
• Build rich dashboards to analyze project-wide data or focus on individual molecules
• Leverage integrated ML/AI technologies for iterative improvement of predictive models

Computational Chemistry: Expanding the Impact of Predictive Modeling

• Increase the reach and impact of computational methods across discovery outcomes
• Share validated models for self-service use by the entire project team
• Outsource routine computational tasks to free up time for more challenging modeling problems
• Build, configure, and export docking models from Maestro to LiveDesign, including ligand and protein structure preparation

Biotherapeutics Discovery: Biologics Workflows

• Combine all biologics data — from sequence to structure to experimental results — in one place
• Streamline workflows including candidate analysis and lead selection, candidate optimization and ideation, and collaborative data transitions
• Track decisions and communications across all stages of common biologics discovery workflows
• Flexibly develop and explore emerging AI/ML technologies through an agnostic snap-in/snap-out API framework

Leadership and Program Management

• Track and visualize key project metrics across programs
• Utilize customizable dashboards for project monitoring and team support
• Standardize discovery workflows across programs and teams for greater consistency

External Partner Management: CRO Collaboration

• Dynamically manage and view Make and Test queues with CRO partners
• Create custom workflows for the progression of compound synthesis and testing
• Eliminate communication through spreadsheets and timezone constraints — data is available as soon as it is loaded into the system

Research IT: Integration and Infrastructure

• Snap in web-based or in-house developed technologies via a connected API
• Centralize design technologies into a single platform and data system
• Reduce integration and support burden by operating from a single SaaS platform

LiveDesign ML: AI/ML Molecular Property Predictions

• Train and deploy state-of-the-art AI/ML models for small molecule drug discovery
• Integrate models directly into team decision-making and design workflows via the centralized collaborative platform
• Enable rapid molecular property predictions with minimal manual intervention
• Supports iterative model improvement as new experimental data becomes available

Learning, Documentation, and Tutorials

• Extensive documentation covering formula column examples, freeform column examples, and assay data display
• Step-by-step tutorials on building LiveReports, configuring Ligand Designer, exploring Forms View, performing regression analysis, and setting up MPOs
• Tutorials for advanced techniques including pushing information to Maestro and saving templates
• Online certification courses and self-paced molecular modeling training with access to Schrödinger software
• Quick start guides, videos, and additional support resources available through the Schrödinger training portal

LiveDesign is delivered as a cloud-native SaaS platform, making it accessible to distributed teams across geographies and time zones. It supports integration with external corporate data sources and third-party tools via open APIs, and is designed to scale across the full breadth of a drug discovery organization — from early-stage ideation through candidate progression and CRO partnership management.