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| DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning | Aug 20, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods | Nov 1, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| De Novo Drug Design with Joint Transformers | Oct 3, 2023 | DecoderDrug Design | —Unverified | 0 |
| De Novo Molecular Generation with Stacked Adversarial Model | Oct 24, 2021 | Drug Designvalid | —Unverified | 0 |
| Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria | Jul 29, 2019 | Drug Design | —Unverified | 0 |
| Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties | Oct 5, 2023 | Drug Design | —Unverified | 0 |
| Diffusion Models in De Novo Drug Design | Jun 7, 2024 | Computational chemistryDenoising | —Unverified | 0 |
| Direct Coupling Analysis of Epistasis in Allosteric Materials | Mar 13, 2020 | Drug Design | —Unverified | 0 |
| Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design | Jun 26, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |