MEMBRANOTROPIC DRUG DISCOVERY
COMING SOON

Artificial intelligence to expand the notion of drug design

Modular synergy of AI, computational chemistry and biotechnology to design new superior drugs, which are safe, efficient and successful in clinical trials.

Partnership
Technology
Artificial Intelligence for Drug Design
Chemical Space
Generate virtual chemical space with trillions of synthesizable molecules using fragment-based AI methodologies and chemical synthesis simulation techniques.
Custom Databases
Novel Chemical Space
Start with your list of molecules or use one of the available commercial databases with 80% synthesizability
Perform clusterization and navigation in large datasets for fast and effective screening of bioactive compounds. Filter molecules using an extensive set of physico-chemical properties.
Big Data Pre-processing
Ready-to-use
Chemical Database
Artificial Intelligence for Drug Design
Chemical Space
Ready-to-use
Chemical Database
Novel Chemical Space
Generate virtual chemical space with trillions of synthesizable molecules using fragment-based AI methodologies and chemical synthesis simulation techniques.
Start with your list of molecules or use one of the available commercial databases with 80% synthesizability
Custom Databases
Big Data Pre-processing
Perform clusterization and navigation in large datasets for fast and effective screening of bioactive compounds. Filter molecules using an extensive set of physico-chemical properties.
Discovery
Define your protein target by providing
its aminoacid sequence or its available 3D structure.
Biological Data Preparation
Perform protein molecule
pre-processing and optimization.
Chemical data augmentation and
2D/3D similarity filtering.
Chemical Data Preparation
AI-powered virtual screening to determine the most promising bioactive compounds with no need of known active molecules as template. Enable uncharted chemical space of diverse and novel molecules.
Ligand- and Structure-based
Virtual Screening
Define your protein target by providing its aminoacid sequence or its available 3D structure.
Biological Data Preparation
Perform protein molecule
pre-processing and optimization.
Chemical data augmentation and
2D/3D similarity filtering.
Chemical Data Preparation
AI-powered virtual screening to determine the most promising bioactive compounds with no need of known active molecules as template. Enable uncharted chemical space of diverse and novel molecules.
Ligand- and Structure-based
Virtual Screening
Discovery
Optimization
Perform advanced multi-target profiling and selectivity using complete human proteome
Polypharmacology
Innovative safety assessment with ADME-Tox Prediction System comprising 30+ AI pharmacokinetic endpoints
Safety
Reveal top compounds using
quantitative structure-activity relationship assessment and molecular dynamics simulations.
Efficacy
Optimization
Perform advanced multi-target profiling and selectivity using complete human proteome
Polypharmacology
Innovative safety assessment with ADME-Tox Prediction System comprising 30+ AI pharmacokinetic endpoints
Safety
Reveal top compounds using
quantitative structure-activity relationship assessment and molecular dynamics simulations.
Efficacy
Drug Candidate
Safety
Efficacy
Affinity
Selectivity
Stability
Bioavailability
Drug Candidate
Bioavailability
Stability
Selectivity
Affinity
Efficacy
Safety
A high-performance cloud infrastructure of our AI platform is designed to efficiently implement large-scale drug discovery projects in a matter of days
Cloud Infrastructure
Scalable Hybrid
The flexible configuration of our platform offers virtually unrestricted capabilities for scaling up or down the infrastructure for any drug discovery workflow.
Scalability
Combining the capacities of the module architecture of our AI platform, we have automated heterogeneous data storage, collecting and processing.
Automation
Our cloud infrastructure managing system gives access to unlimited computing resources and enables us to run several intensive drug discovery workloads parallelly.
Speed
Our platform is driven by edge-cutting technologies to strictly observe software security, data networking, and information storage.
Security
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