Molecular Search with the Gemini® Associative Processing Unit
■ Drug discovery is expensive—both in terms of cost and time. Searching large chemical fingerprint databases requires substantial computing power. The ability to search quickly and effectively has a direct impact on time-to-market goals.
■ Introducing a new molecule search engine powered by GSI's Gemini® Associative Processing Unit (APU). Gemini is a patented processing technology featuring massive parallel data processing, compute and search; in-place, directly in the memory array. This architecture gives the APU a performance edge in the acceleration of similarity search applications.
■ Integrated with the BIOVIA™ Pipeline Pilot scientific application, Gemini® delivers exceptional performance for circular fingerprint similarity search, including threshold searches at under 0.8.
■ Gemini® is a scalable solution. Large datasets and multiple queries can be processed quickly with no loss of performance and with very low power consumption. Integration with Pipeline Pilot or other applications using the Tanimoto distance metric, is straightforward.
● Gemini® APU Benefits:
■ Support for similarity structure search on circular fingerprints at thresholds of 0.8 and under.
■ Easy integration with BIOVIA—proven and fully tested.
■ Gemini® can be integrated into other molecule search solutions that use the Tanimoto coefficient.
■ Support for single or multiple queries on Enamine REAL database (680M compounds), all on a single APU.
■ Calculation of more descriptive, larger length, folded fingerprints (bit sizes of 256, 512, 1024, and up to 8192).
■ Multiple databases can be loaded into the APU’s system memory. Single dataset can be chosen for a specific query.
■ Batches of compounds (100s or 1000s) can be submitted simultaneously.
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[ Molecular Search ] |
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FAQ |
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Please see the document for details |
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English Chinese Chinese and English Japanese |
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2020/7/28 |
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1.2 MB |
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