REAXENSE

REAXENSE is the core chemical resource powering the Receptor.AI ecosystem, designed to bridge predictive artificial intelligence with real-world compound synthesis and experimental validation. Built for drug discovery teams in the life sciences, REAXENSE provides access to multiple dedicated chemical spaces and target libraries that span from physical screening collections to vast virtual chemical universes, enabling hit discovery, lead optimization, and target-focused library design at every stage of the pipeline.

The platform encompasses five specialized chemical spaces and one protein target resource, each engineered to address distinct challenges in modern drug discovery — from small molecule screening and macrocyclic design to therapeutic peptide development and protein–protein interaction (PPI) targeting.

ChemoVista™ — AI-Driven Chemical Space for High-Throughput Discovery

• Contains 11 million or more ready-to-use compounds representing approximately 2.5 million unique Murcko scaffolds, curated specifically for hit discovery and lead optimization
• 90% of molecules are Ro5-compliant, with high structural diversity reflected by a mean Tanimoto similarity below 0.35
• All compounds are in-stock with validated purity of 90% or greater, available in vials, custom assay plates, and bulk formats for global delivery
• Fully integrated into screening workflows, SAR modeling, and ADMET filtering using standardized data formats

VirtuSynthium™ — AI-Navigable Virtual Space of 10¹⁶ Synthesis-Ready Molecules

• Encompasses 10¹⁶ novel, diverse, and synthetically feasible molecules derived from over one million building blocks and more than one thousand reactions
• Provides real-time synthetic feasibility scoring (SAS <7) with on-demand synthesis capabilities
• Optimized for drug-like and beyond Rule of Five (bRo5) compounds to maximize chemical diversity and therapeutic potential
• Enables searching of over one billion molecules in under a second using 256–2048-bit ECFP4/MHFP fingerprints, supporting AI-driven hit discovery and IP-free design in novel chemical space

OmniPeptide Nexus™ — AI-Powered Platform for Therapeutic Peptide Discovery

• Supports design of 2–100 amino acid peptides — including cyclic, branched, and modified formats — using 20 standard and over 500 non-standard amino acids, with access to 10¹³ variants
• AI-optimized for drug-likeness, supporting stability ranging from minutes to hours, affinity in the micromolar to nanomolar range (Kd: μM–nM), and real-time 3D structural modeling
• Compatible with solid-phase peptide synthesis (SPPS) for sequences up to 50 amino acids with 95–99% efficiency, and supports optional GMP formats
• Enables sequence-to-function prediction, SAR optimization, and PPI-targeted design across oncology, immunotherapy, and infectious disease applications

MacroCyclePro™ — AI-Driven Macrocyclic Discovery for Challenging Targets

• Supports de novo design of bridged rings and peptidomimetics (8–20+ atoms) using transformer models, LSTMs, and generative adversarial networks (GANs)
• Engineered for membrane permeability and strong target binding (Kd μM–nM), with physicochemical parameters including TPSA ≤140 Ų, cLogP 2–6, molecular weight 500–800 Da, and conformation-stabilizing hydrogen bonds
• Synthesis-ready with 80–95% per-step yields, greater than 70% success in ring-closing metathesis (RCM), and approximately 95% cyclization efficiency via non-ribosomal peptide synthetase (NRPS)
• Integrated with ADMET prediction and supports PPI-targeted macrocycle design in PEGylated, lipidated, and nanoformulated delivery formats

Receptor360™ — On-Demand Protein Target Libraries

• Provides on-demand focused libraries for 8,801 fully characterized proteins with identified binding pockets and assessed druggability
• Each protein target includes full characterization covering therapeutic relevance, protein–protein interactions, and known ligand SAR data
• Detected binding pockets and generated conformational ensembles are provided for each target
• Fully integrated with the ChemoVista™ and VirtuSynthium™ chemical spaces for seamless library design and screening workflows

REAXENSE is deeply integrated within the broader Receptor.AI drug discovery platform, combining physical compound libraries, virtual chemical spaces, and protein target intelligence into a unified resource. The platform supports global compound delivery, GMP-compatible peptide synthesis, and standardized data formats, making it suitable for both early-stage discovery and advanced lead optimization programs across a wide range of therapeutic areas.