| Computing Absolute Free Energy with Deep Generative Models | May 1, 2020 | Drug Design | —Unverified | 0 |
| Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning | Apr 29, 2020 | Deep Reinforcement LearningDrug Design | —Unverified | 0 |
| Recognition of potential Covid-19 drug treatments through the study of existing protein-drug and protein-protein structures: an analysis of kinetically active residues | Apr 21, 2020 | Drug Design | —Unverified | 0 |
| Molecular docking studies on Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection | Apr 17, 2020 | Drug DesignMolecular Docking | —Unverified | 0 |
| Continuous Representation of Molecules Using Graph Variational Autoencoder | Apr 17, 2020 | DecoderDrug Design | —Unverified | 0 |
| CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models | Apr 2, 2020 | AttributeDrug Design | —Unverified | 0 |
| Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists | Mar 31, 2020 | Drug DesignDrug Discovery | —Unverified | 0 |
| Direct Coupling Analysis of Epistasis in Allosteric Materials | Mar 13, 2020 | Drug Design | —Unverified | 0 |
| Old Drugs for Newly Emerging Viral Disease, COVID-19: Bioinformatic Prospective | Mar 10, 2020 | Drug Design | —Unverified | 0 |
| A Deep Generative Model for Fragment-Based Molecule Generation | Feb 28, 2020 | Drug DesignLanguage Modeling | CodeCode Available | 0 |
| Persistent spectral based machine learning (PerSpect ML) for drug design | Feb 3, 2020 | BIG-bench Machine LearningDrug Design | —Unverified | 0 |
| Learning of signaling networks: molecular mechanisms | Jan 31, 2020 | Drug Design | —Unverified | 0 |
| Composing Molecules with Multiple Property Constraints | Jan 1, 2020 | DiversityDrug Design | —Unverified | 0 |
| Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction | Dec 8, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| DeepAtom: A Framework for Protein-Ligand Binding Affinity Prediction | Dec 1, 2019 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| CASTER: Predicting Drug Interactions with Chemical Substructure Representation | Nov 15, 2019 | Dictionary LearningDrug Design | CodeCode Available | 0 |
| Image-Conditioned Graph Generation for Road Network Extraction | Oct 31, 2019 | Drug DesignGraph Generation | CodeCode Available | 0 |
| The recent advances in the mathematical modelling of human pluripotent stem cells | Sep 23, 2019 | Drug Design | —Unverified | 0 |
| FfDL : A Flexible Multi-tenant Deep Learning Platform | Sep 14, 2019 | Deep LearningDrug Design | —Unverified | 0 |
| PaccMann^RL: Designing anticancer drugs from transcriptomic data via reinforcement learning | Aug 29, 2019 | Computational chemistryDrug Design | —Unverified | 0 |
| DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning | Aug 20, 2019 | Drug DesignDrug Discovery | —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 |
| Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling | May 28, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| Best Arm Identification in Generalized Linear Bandits | May 20, 2019 | Drug Design | —Unverified | 0 |
| Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional Encoders | Apr 25, 2019 | Drug DesignPrediction | CodeCode Available | 0 |
