Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks | Nature Machine Intelligence
Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations | Journal of Chemical Information and Modeling
Deep learning for molecular generation and optimization - a review of the state of the art – arXiv Vanity
Building a molecular charge classifier | by Flawnson Tong | Towards Data Science
Simplified molecular-input line-entry system - Wikipedia
SMILES-enumeration/README.md at master · EBjerrum/SMILES-enumeration · GitHub
Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention
SMILES drawing tool
Structural information for a molecule can be given as a 1D SMILES... | Download Scientific Diagram
Getting Started with the RDKit in Python — The RDKit 2022.03.1 documentation
SMILES-based deep generative scaffold decorator for de-novo drug design | Journal of Cheminformatics | Full Text