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| Attribut | ＋ Werkzeug hinzufügen | ||
|---|---|---|---|
| Category | Drug Discovery & Chemistry | Drug Discovery & Chemistry | — |
| Subcategory | End-to-End AI Drug Discovery Platform | Molecular Docking | — |
| Company | Insilico Medicine | Scripps Research Institute | — |
| Access mode | Commercial Subscription & Co-Development | Open Source | — |
| Licence conditions | Proprietary commercial software | Apache 2.0 | — |
| Compute requirements | Cloud SaaS with enterprise security compliance | Multi-core CPU (GPU-accelerated version available via QuickVina/Vina-GPU) | — |
| Biological application | Fibrosis, oncology, immunology, and age-related disease drug discovery | Virtual screening of compound libraries and binding mode prediction | — |
| Research workflow | Disease multi-omics data -> novel target selection -> generative chemistry -> candidate synthesis | Input receptor PDBQT and ligand PDBQT -> output binding poses and energy scores | — |
| Evidence level | Clinical-stage pipeline with published experimental and clinical validation (Nature Biotech 2024) | Peer-reviewed research with >25,000 scientific citations | — |
| Commercial eligibility | Commercial enterprise licensing and drug discovery partnerships | Permissive open source release | — |
| Price | Enterprise partnership — contact vendor | Free Open Source | — |
| Availability ⓘ | Globally available for biopharma partners | Available on GitHub and Scripps website | — |
| Features | PandaOmics for multi-omics target identification and biological aging biomarker analysis, Chemistry42 generative chemistry platform with 42 distinct generative algorithms, Demonstrated progression of novel targets and molecules into Phase II clinical trials (e.g. ISM001-055 for IPF), High-throughput synthetic accessibility and automated ADMET filtering | High-speed multi-threaded molecular docking of flexible small-molecule ligands, Support for flexible receptor side chains and macrocyclic ligands, Python bindings (AutoDock-Vina Python package) for automated screening pipelines, Extensively integrated with open-source computational chemistry workflows | — |
| Entry type | Commercial Platform | Open Source Software | — |
| AI role | End-to-End Generative Chemistry | Empirical & Algorithmic Docking | — |
| Input data | Nicht erfasst | Nicht erfasst | — |
| Output data | Nicht erfasst | Nicht erfasst | — |
| Validation | Nicht erfasst | Nicht erfasst | — |
| Type | End-to-end generative AI drug platform | Molecular docking software | — |
| Intended use | Nicht erfasst | Nicht erfasst | — |
| Compatibility | Nicht erfasst | Nicht erfasst | — |
| Manufacturer | Insilico Medicine | The Scripps Research Institute | — |
| Integration evidence | https://insilico.com/platform | https://vina.scripps.edu | — |
| Laboratory handoff | Compounds synthesized in automated robotic labs for biochemical IC50 testing | Identified hits ordered from commercial vendors (Enamine, ChemBridge) for in vitro validation | — |