End-to-End Computational Discovery
Computational Drug Discovery Workflow Systems Integration
In practical terms, computing tools into unseamed workflows for drug breakthrough with our ended system platform.
Why Use Our Systems?
Unified Computational Discovery Platform
Also, virtual masking in an integrated environment with automated informations stream, modelling ranges and visualisation of results.
Computation that actually accelerates discovery.
See Systems DocumentationVirtual Screening Cascade
AI + Physics Hybrid Pipeline
1B compounds to 100 activities in 48 hours.
In simple terms, sequential filtering with moorage, pharmacophorus, ML classificators and free vigor calculations provides an efficient mellow safety foretelling.
Explore Screening Pipeline
Model Building Automation
QSAR, ADMET, Binding AutoML
No coding required. Cross-validated models in minutes.
Most researchers agree that machine learning generates prognosticative modelings can be represented from trial data with pertinence domain analysis.
View Model BuildingDesign-Make-Test Integration
Synthesis Planning and Experimental Feedback
Analogues designed, ordered, results automatically incorporated.
One advantage is that open loop optimisation unites the design of the calculation with the experimental results and unceasingly improves the accuracy of the prognoses.
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