| Computational Analysis for the Rational Design of Anti-Amyloid Beta (ABeta) Antibodies | Feb 22, 2018 | Drug Design | —Unverified | 0 |
| Multi-Objective De Novo Drug Design with Conditional Graph Generative Model | Jan 18, 2018 | Drug Designvalid | CodeCode Available | 0 |
| Graph Memory Networks for Molecular Activity Prediction | Jan 8, 2018 | Activity PredictionDrug Design | —Unverified | 0 |
| Using Deep Reinforcement Learning to Generate Rationales for Molecules | Jan 1, 2018 | Deep Reinforcement LearningDrug Design | —Unverified | 0 |
| DeepIso: A Deep Learning Model for Peptide Feature Detection | Dec 9, 2017 | Deep LearningDrug Design | —Unverified | 0 |
| Shape Complementarity Analysis for Objects of Arbitrary Shape | Dec 1, 2017 | Drug Designglobal-optimization | —Unverified | 0 |
| Deep Reinforcement Learning for De-Novo Drug Design | Nov 29, 2017 | Deep Reinforcement LearningDrug Design | CodeCode Available | 0 |
| Representation Learning on Graphs: Methods and Applications | Sep 17, 2017 | BIG-bench Machine LearningDimensionality Reduction | —Unverified | 0 |
| Meta-QSAR: a large-scale application of meta-learning to drug design and discovery | Sep 12, 2017 | BIG-bench Machine LearningDrug Design | —Unverified | 0 |
| Optimization of Tree Ensembles | May 30, 2017 | Drug Design | —Unverified | 0 |
