Abstract
The rapid advancement of virtual screening technologies has opened new avenues in drug discovery, but the challenge of efficiently screening ultra-large chemical libraries remains. BIOPTIC addresses this by introducing a target-agnostic, potency-based search engine for small molecules. Utilizing advanced deep learning models and optimized software engineering techniques, BIOPTIC can screen the 40-billion molecule Enamine REAL library with unparalleled speed and accuracy. Our benchmarks against state-of-the-art models highlight BIOPTIC's superior performance in identifying structurally diverse molecules with similar biological activities, thus offering a powerful tool for enhancing the efficiency and efficacy of drug discovery pipelines.
Revolutionize Drug Discovery with BIOPTIC AI
Introducing BIOPTIC, the ultimate small molecules search engine that’s setting a new standard in drug discovery. Our latest white paper reveals how our target-agnostic, potency-based model is set to transform molecular similarity search.
- Blazing Fast Screening: Screen every molecule in the 40B Enamine REAL library in a few minutes with our processor-optimized system.
- Unmatched Flexibility: Find potentially active molecules with only one query molecule or just a target name as input.
- Proven Performance: Outperform state-of-the-art target-specific models in speed and retrieval quality, revolutionizing hit identification, hit expansion, and scaffold hopping.
Unlock the future of drug discovery. Read the full white paper now and see how BIOPTIC cuts through the noise to deliver real results fast. Get in touch, if you want to try!
