AI-accelerated Platforms for Rapid & Precise Drug Design

The PharmaSphere ecosystem features dedicated platforms for Proximity Inducers, Peptides, and Small Molecules design combining dozens of experimentally validated AI models.

AI-accelerated Platforms for Rapid & Precise Drug Design

The PharmaSphere ecosystem features dedicated platforms for Proximity Inducers, Peptides, and Small Molecules design combining dozens of experimentally validated AI models.

Accelerated

40+ advanced AI methodologies open up a new high-speed avenue for drug candidate design

Precise

Molecules are designed with atom-like precision through a holistic approach

Customizable

Modular platform architecture can be easily fine-tuned to make drug design more flexible

Validated

Our experimentally-proven platform integrates biological assays to deliver high-quality medicines

Seamless drug design workflow

Chemical Space Preprocessing

Novel Chemical Space

Generate virtual chemical space with trillions of synthesizable compounds using structure-based AI methodologies and chemical synthesis simulation techniques.

Large Chemical Libraries

Start with your own compound library or choose from our extensive selection of commercial libraries, each containing billions of compounds with an 80% synthesizability rate.

Optimised Screening Map

Perform clusterization and navigation in large datasets for fast and effective screening of bioactive compounds.

Drug-Like Chemical Space

Filter compounds using an extensive set of 32 physchem and drug-like properties.

Seamless drug design workflow

Chemical Space Preprocessing

Novel Chemical Space

Generate virtual chemical space with trillions of synthesizable compounds using structure-based AI methodologies and chemical synthesis simulation techniques.

Large Chemical Libraries

Start with your own compound library or choose from our extensive selection of commercial libraries, each containing billions of compounds with an 80% synthesizability rate.

Optimised Chemical Map

Perform clusterization and navigation in large datasets for fast and effective screening of bioactive compounds.

Drug-Like Chemical Space

Filter compounds using an extensive set of 32 physchem and drug-like properties.

Massive Virtual Screening

Protein Structure Preparation

Define your protein target and pockets by providing its aminoacid sequence or its available 3D structure.

Protein-Ligand Preparation

Perform protein structurepre-processing and optimization.Chemical data augmentation and2D/3D similarity filtering.

Ligand- and Structure-basedVirtual Screening

AI-enabled virtual screening to pinpoint exceptionally promising bioactive compounds without requiring known ligands as templates. This opens up untapped avenues in the chemical space, allowing for the exploration of diverse and novel molecular structures.

Massive Virtual Screening

Protein Structure Preparation

Define your protein target and pockets by providing its aminoacid sequence or its available 3D structure.

Protein-Ligand Preparation

Perform protein structure pre-processing and optimization. Chemical data augmentation and2D/3D similarity filtering.

Ligand- and Structure-based Virtual Screening

Precision Screening

Safety

Innovative safety assessment with multi-task ADME-Tox Prediction System comprising 40+ AI pharmacokinetic endpoints

Polypharmacology

Perform advanced ligand- and structure-based multi-target profiling and selectivity assessment against ~9K+ human proteins.

Efficacy

Precision Screening

Safety

Innovative safety assessment with multi-task ADME-Tox Prediction System comprising 40+ AI pharmacokinetic endpoints

Polypharmacology

Perform advanced ligand- and structure-based multi-target profiling and selectivity assessment against ~17K+ human proteins.

Efficacy

Reveal top compounds using quantitative structure-activity relationship assessment and physics-based simulations.

Candidate compounds

Safety

Efficacy

Affinity

Selectivity

Stability

Bioavailability

Candidate compounds

Safety

Efficacy

Affinity

Selectivity

Stability

Bioavailability

Scalable Hybrid Cloud Infrastructure

A high-performance cloud infrastructure of our AI platform is designed to efficiently implement large-scale drug discovery projects in a matter of days

Speed

Our cloud infrastructure managing system gives access to unlimited computing resources and enables to run multiple drug discovery workloads in parallel.

Automation

Combining the capacities of the modular architecture of our AI platform, we have automated heterogeneous data storage, collecting and processing.

Scalability

The flexible configuration of our platform offers virtually unrestricted capabilities for scaling up or down the infrastructure for any drug discovery workflow.

Security

Our platform is driven by edge-cutting technologies to strictly observe software security, data networking, and information storage.