Software Solutions
Revolutionizing drug development with AI-powered crystal structure prediction
Crystal Structure Prediction for Faster, More Effective Drug Development
Crystal structure prediction (CSP) identifies the correct crystal structure(s) that will form from a given molecule, based on its molecular structure. The crystal form of a drug impacts crucial properties like stability, solubility, and manufacturability.
Stability
Predicting stable polymorphs avoids late-stage surprises and ensures consistent drug performance.
Solubility
Tailoring the crystal form can improve solubility for easier administration and absorption.
Manufacturability
Optimizing morphology reduces challenges during production and formulation.
Traditional polymorph screening is
- •Time-consuming: Manual trials and errors can delay development timelines.
- •Costly: Extensive lab work and analysis drive up drug discovery costs.
- •Limited: Experimental methods may miss hidden, potentially more desirable polymorphs.
Lavo's AI-powered CSP Offers a Better Way
High-throughput
Analyze millions of potential crystal structures in days, not weeks or months.
Accurate predictions
Leverage cutting-edge physically-constrained AI algorithms trained on vast datasets for reliable results.
Environment factors
Explore how environmental factors like temperature and pressure affect crystal stability, informing experiments.
Unbiased exploration
Discover novel polymorphs not readily found by traditional methods.
Our Services
Single molecule prediction
Identify the most stable crystal structure for your specific drug candidate.
Batch screening
Analyze multiple molecules simultaneously for efficient portfolio optimization.
Customized studies
Tailor our approaches to your unique needs and research questions.
Work with us
Let's discuss how our AI-powered crystal structure prediction can help streamline your pharmaceutical research and development process.
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