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Small Molecule Drug Discovery
A drug discovery service that integrates AI, automation, and domain expert insight
XtalPi has developed a proprietary ID4Inno™ small-molecule drug discovery platform, which leverages AI, automation, and domain expert insight to explore a broader chemical space with higher efficiency and lower cost. ID4Inno™ greatly reduces wet lab experiments and ultimately accelerates the DMTA discovery cycle.
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Higher success rate -
Broader chemical space -
Lower cost -
Improved efficiency
Service Content
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One-stop drug discovery serviceWe support innovative drug discovery projects by providing one-stop drug discovery services from target validation to PCC nomination.
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‘1+5+X’ serviceBy combining CADD experts, synthesis experts and state-of-the-art platforms, we can conduct comprehensive calculations and analysis of experimental data for clients’ projects, and recommend new directions and strategies for molecular design and synthesis execution.
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Biology and DMPK serviceXtalPi Biology Platform is committed to providing one-stop drug discovery services, including in vitro screening, animal models, cryo-EM structure determination, and DMPK.
ID4Inno™Small-molecule drug discovery platform
Over 300 AI models, covering a wide range of applications such as molecular generation, property evaluation and more
Exploring a larger chemical space with improved efficiency and reduced cost
Fully proprietary, customizable models
Analyze and predict interactions between compounds and targets
Industry leading accuracy and throughput
Strong interpretability supported by physics based models
AI Algorithms-
Domain expert insight -
Automated experiments
ID4Inno™pioneered by XtalPi,
is a new paradigm for drug discovery that integrates AI, automation, and domain expert insight to explore larger chemical space with higher efficiency and lower cost
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Biology Platform