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将生物大模型、对接计算引擎与组学管线并排横向对比。按获取方式、硬件开销及细分领域灵活筛选，在一分钟内得出客观可辩护的技术选型方案。
| 技术参数指标 | Drug Discovery & Chemistry Schrödinger Maestro & Computational Chemistry SuiteSchrödinger商业授权⚡ A100/H100 | ＋ 添加工具 |
|---|---|---|
| Category | Drug Discovery & Chemistry | — |
| Subcategory | Physics & AI Drug Design Platform | — |
| Company | Schrödinger | — |
| Access mode | Commercial License | — |
| Licence conditions | Proprietary commercial license | — |
| Compute requirements | Workstation / high-performance GPU cluster (CUDA-enabled) | — |
| Biological application | Small-molecule drug discovery, structure-based design, and ADMET profiling | — |
| Research workflow | Hit-to-lead and lead optimization via FEP+ calculations and docking | — |
| Evidence level | Extensive peer-reviewed validation across hundreds of biopharma programs | — |
| Commercial eligibility | Commercial enterprise licensing | — |
| Price | Enterprise license — contact vendor | — |
| Availability ⓘ | Globally available for commercial and academic institutions | — |
| Features | Industry-leading FEP+ for predicting relative and absolute protein-ligand binding free energies, Glide docking engine with induced-fit and deep-learning scoring options, Maestro 3D visual modeling and pharmacophore hypothesis generation, Active learning molecular property prediction across multi-billion compound spaces | — |
| Entry type | Commercial Software | — |
| AI role | Physics & ML Hybrid Modeling | — |
| Input data | 未明确记录 | — |
| Output data | 未明确记录 | — |
| Validation | 未明确记录 | — |
| Type | Enterprise computational chemistry platform | — |
| Intended use | 未明确记录 | — |
| Compatibility | 未明确记录 | — |
| Manufacturer | Schrödinger, Inc. | — |
| Integration evidence | https://www.schrodinger.com/platform/products/maestro/ | — |
| Laboratory handoff | Direct compound prioritization for chemical synthesis and enzymatic assays | — |