GEOM, energy-annotated molecular conformations for property prediction and molecular generation | Scientific Data
RNN-based methods for SMILES string generation. SMILES generation... | Download Scientific Diagram
Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention
RNN-based methods for SMILES string generation. SMILES generation... | Download Scientific Diagram
Master your molecule generator: Seq2seq RNN models with SMILES in Keras | Cheminformania
Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI | Journal of Cheminformatics | Full Text
Getting Started with the RDKit in Python — The RDKit 2022.03.1 documentation
Deep learning for molecular generation | Future Medicinal Chemistry
Bidirectional Molecule Generation with Recurrent Neural Networks | Journal of Chemical Information and Modeling
Molecular generation by Fast Assembly of (Deep)SMILES fragments | Journal of Cheminformatics | Full Text
Deep learning for molecular generation | Future Medicinal Chemistry
SMILES drawing tool
GEN: highly efficient SMILES explorer using autodidactic generative examination networks | Journal of Cheminformatics | Full Text
Cells | Free Full-Text | Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries | HTML
Deep reinforcement learning for de novo drug design
Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks | Nature Machine Intelligence
SMILES-enumeration/README.md at master · EBjerrum/SMILES-enumeration · GitHub
The LSTM used to generate SMILES strings. The character “G” is inputted... | Download Scientific Diagram
Inverse‐QSPR for de novo Design: A Review - Gantzer - 2020 - Molecular Informatics - Wiley Online Library
Research Progress on New Organic Molecules Design via Machine Learning
Building with SMILES - Avogadro
SMILES-based deep generative scaffold decorator for de-novo drug design | Journal of Cheminformatics | Full Text
A de novo molecular generation method using latent vector based generative adversarial network. - Abstract - Europe PMC
Simplified molecular-input line-entry system - Wikipedia
GitHub - jsmith13/smiles-generator: Generation of SMILES strings from molecular structures.
How to generate a 3D molecular structure from a SMILES string - The Cambridge Crystallographic Data Centre (CCDC)
