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Vergleichen Sie biologische Modelle, Docking-Engines und Berechnungs-Workflows Seite an Seite. Filtern Sie nach Zugangsmodell, Rechenbedarf und Kategorie, um in unter einer Minute zu einer verwertbaren Entscheidungstabelle zu gelangen.
| Attribut | ＋ Werkzeug hinzufügen | |||
|---|---|---|---|---|
| Category | AI Drug Discovery | AI Drug Discovery | AI Drug Discovery | — |
| Subcategory | Research AI Methods | Molecular Property Prediction | Molecular Design | — |
| Company | Research / method authors | Luo Lab | Sekijima Lab | — |
| Access mode | Confirm distribution and exact release | Research code or publication | Research code or publication | — |
| Licence conditions | NOT_INDEPENDENTLY_AUDITED | Check code and model weights separately | Check code and model weights separately | — |
| Compute requirements | Version and data dependent | Check selected checkpoint and runtime; no GPU catalog recommendation | Check selected checkpoint and runtime; no GPU catalog recommendation | — |
| Biological application | Nicht erfasst | Nicht erfasst | Nicht erfasst | — |
| Research workflow | Nicht erfasst | Nicht erfasst | Nicht erfasst | — |
| Evidence level | PEER_REVIEWED_METHOD_OR_CONFERENCE | Peer-reviewed primary method | Peer-reviewed primary method | — |
| Commercial eligibility | NOT_INDEPENDENTLY_AUDITED | Unknown, requires audit | Unknown, requires audit | — |
| Price | Verify access and licence | Check selected model licence | Check selected model licence | — |
| Availability ⓘ | Method paper or official documentation | Public research method/code | Public research method/code | — |
| Features | ADMET-AI scientific method, Molecular SMILES with well-defined compound stereochemistry and relevant assay domain, Predicted absorption, distribution, metabolism, excretion and toxicity endpoints | Chemical foundation model for learned molecular representations, property prediction and conditional molecule generation., Molecular features, predicted properties or generated SMILES | Diffusion-based ligand molecule generation constrained by specified pocket and pharmacophore interactions., Generated 3D chemical candidate structures | — |
| Entry type | Source-scoped research method | Research AI model / method | Research AI model / method | — |
| AI role | ENSEMBLE_ML | Published biomedical AI method | Published biomedical AI method | — |
| Input data | Molecular SMILES with well-defined compound stereochemistry and relevant assay domain | Valid SMILES; trained downstream endpoint or conditioned molecule task | Protein pocket coordinates; interaction constraints | — |
| Output data | Predicted absorption, distribution, metabolism, excretion and toxicity endpoints | Molecular features; predicted properties or generated SMILES | Generated 3D chemical candidate structures | — |
| Validation | Published method scope; no independent BioAtlas execution or benchmark | Requires independent dataset-specific evaluation | Requires independent dataset-specific evaluation | — |
| Type | Nicht erfasst | Nicht erfasst | Nicht erfasst | — |
| Intended use | Nicht erfasst | Nicht erfasst | Nicht erfasst | — |
| Compatibility | Nicht erfasst | Nicht erfasst | Nicht erfasst | — |