iktos.ai: Accelerating Drug Discovery with AI and Robotics

iktos.ai is a pioneering AI and robotics platform transforming drug discovery by combining generative chemistry, retrosynthesis planning, and automated synthesis to streamline the entire Design-Make-Test-Analysis (DMTA) cycle. Built by chemists for chemists, the platform empowers researchers in pharmaceuticals, biotech, and academia to rapidly generate novel, synthesizable, and drug-like molecules with advanced optimization for real-world feasibility. Its core tools—Makya, Spaya, Ilaka, and Iktos Robotics—work in seamless integration to enable high-throughput experimentation, reduce development timelines to under 24 months, and support complex therapeutic targets like protein-protein interactions and PROTACs.

Key Features:

• Makya (Generative AI Platform): Creates diverse, novel, and medchem-like molecules with focus on synthetic accessibility and multi-parametric optimization.
• 3D-Constrained Molecule Design: Incorporates structural and spatial constraints for accurate, biologically relevant molecule generation.
• Target Product Profile (TPP) Integration: Designs molecules with predefined therapeutic goals from the outset.
• Spaya (Retrosynthesis AI Platform): Instantly identifies feasible synthetic routes using a template-based neural network trained on 6 million reactions.
• Advanced Retrosynthesis Capabilities: Supports real-time exploration of synthetic pathways with customizable constraints (steps, providers, pricing, delivery, named reactions, intermediates, substructures).
• Chemo- and Regio-Selectivity Prediction: Uses neural networks to predict reaction outcomes and select the most probable isomers.
• Chiral Pool Approach: Handles chirality through stereocenters derived from chiral building blocks.
• Proprietary Scoring System: Ranks synthetic routes based on feasibility, cost, and time.
• API Suite for Integration: Offers RScore, Number of Steps, and RSpred Score APIs compatible with Knime, Pipeline Pilot, and Jupyter Notebook.
• High-Throughput Scoring: Can process hundreds of thousands of molecules for synthetic feasibility.
• Iktos Robotics (Chemistry & Biology): Automates chemical synthesis, purification, analysis, and in-cellulo biological screening with multidimensional data output.
• MTBench Technology: Enables high-throughput phenotypic assays for assessing drug efficacy.
• Integrated DMTA Workflow: Orchestrates the full discovery pipeline from molecule design to preclinical candidate nomination.
• Collaborative Platform: Supports discovery partnerships with pharmaceutical, biotech, and academic institutions.
• AWS Marketplace Availability: Makya and Spaya are accessible via AWS, with autoscaling and VPC deployment options.
• Custom Retraining: Spaya can be fine-tuned with customer-specific reaction data, building blocks, and inventory in weeks.
• Extensive Chemical Data Integration: Over 35 partnerships with chemical providers and integration with Reaxys for comprehensive reaction data.
• Support for Complex Therapeutic Areas: Focus on oncology, inflammation, metabolism, and molecular glues via targeted discovery projects.

Pricing: iktos.ai offers a freemium model with access to its core platforms via AWS Marketplace, and enterprise-grade solutions available through customized Discovery Collaboration services, making it accessible for both early-stage exploration and large-scale development.

Conclusion: iktos.ai is a revolutionary force in drug discovery, merging generative AI, intelligent retrosynthesis, and robotics into a unified, high-efficiency platform that empowers scientists to design, synthesize, and test novel therapeutics faster and smarter than ever before.