Total Products under this Category: 135
Last updated: September 29, 2026
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Elucidate complex structures from experimental data with the help of expert algorithms
SYNTHIA Retrosynthesis Software is a cloud-based, software-as-a-service (SaaS) platform that helps chemists rapidly design robust synthetic routes using expert-coded rules curated by chemists and engineered by computer scientists, enabling discovery of novel pathways for both new and published target molecules; the technology has been developed over 21 years and searches a catalog of more than 12 million commercially available starting materials and building blocks. It is purpose-built for computer-aided synthesis design (CASD/CASP), accelerating route scouting while improving speed, safety, and cost efficiency across discovery and development workflows. Scientists can run Automatic, Step-by-Step, Similar Molecules, or Shared Path Library analyses, then view up to 50 synthetic pathways per target and filter results by number of steps, pathway similarity, starting-material cost, and protecting-group use; each pathway includes typical reaction conditions, illustrative publications, and options to export or share for collaboration. Users can tailor searches with preset or custom configurations to include preferred reactions, exclude reagents or classes, set price limits, and start from commercial or in-house inventories—streamlining from target input to shopping list generation of buyable building blocks. SYNTHIA supports greener route design by allowing users to avoid hazardous reagents and seek safer alternatives as part of configurable search criteria. For integration at scale, the SYNTHIA API offers two modalities: the Full Retro API returns detailed pathway data (reaction SMILES and names, literature references, prices and CAS numbers of starting materials, and pathway scores), while the Synthetic Accessibility Score (SAS) API provides a 0–10 complexity score to triage large virtual libraries; both are designed to plug into KNIME, Pipeline Pilot, Jupyter, and similar workflows. The platform runs on an ISO 27001–certified secure cloud infrastructure, supporting enterprise-grade data protection for cheminformatics workflows. Across medicinal, discovery, and process chemistry teams, SYNTHIA is used to save time, reduce costs, and expand idea space by proposing alternative, often more atom-efficient disconnections and ranked pathways that complement literature precedent and in-house expertise. Access options include a free individual trial and tiered licenses (including batch analysis and custom inventory features for advanced needs), making it easy to pilot the software and scale with project demand.
Tahoe Therapeutics is a biotechnology company that develops AI models of human cells to enhance drug discovery.
Eidogen-Sertanty's Target Informatics Platform (TIP) is the world's first structural informatics system and knowledgebase that enables researchers with the ability to interrogate the druggable genome from a structural perspective.
Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze work in synergy to deliver a complete discovery DMTA cycle platform enabling chemists to design molecules faster, capture and share knowledge, and manage resources with ease.
Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements.
Pioneering an approach that combines simulation with machine learning, we map and model how thousands of signaling proteins interact characterizing cellular level cancer behavior and response or resistance to treatment. Our platform enables the simulation of drug-like effects from compounds that may not exist yet, on cells potentially unavailable for lab-based testing, like those of high unmet need cancer patients.
Valinor Discovery uses machine learning to simulate drug performance and support data-driven drug development decisions.
2D to 3D small molecule conversion. Provides low energy conformers of drug-like molecules. Detects and enforces stereochemistry.
A comprehensive free energy software package for computer-aided drug discovery and molecular design.
Xavo has reimagined how to address the strategic problem in the Biopharma R&D Sample Management realm which is to optimally fulfill changing demand for assays and materials based on available finite lab capacity and material inventory
