Computational Chemistry - Page 2

A Transformer-based model for translating SMILES to IUPAC names, trained on ~1 billion molecules, achieving ~99% …

A deep-learning neural machine translation approach to translate between SMILES strings and IUPAC names using the STOUT …

A Transformer-based model for translating between SMILES strings and IUPAC names, trained on 47M PubChem examples, …

Sequence-to-sequence Transformer translating InChI identifiers to IUPAC names with 91% accuracy on organic compounds.

Weakly supervised OCSR framework combining object detection and graph construction to recognize chemical structures from …

A deep learning method using EfficientNet and Transformer to convert hand-drawn chemical structures into SMILES codes, …

A 26B parameter multimodal LLM for chemistry, combining InternViT-6B and ChemLLM-20B for molecular structure …

Benchmark of 8 open-access OCSR methods on 2702 manually curated patent images, with ChemIC classifier for hybrid …

Open-source OCSR platform combining Mask R-CNN segmentation and Transformer recognition, trained on 450M+ synthetic …

A Transformer-based OCSR model introducing dual-path modules (CGFE and SDGLA) to improve global context awareness and …

An improved encoder-decoder model (EfficientNetV2 + Transformer) for converting hand-drawn chemical structures into …

Deep learning model using improved SwinTransformer encoder and attention-based feature fusion to convert molecular …