conftrace_

smiles representation

4 papers

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Also known as

SMILES

Co-occurring keywords · papers mentioning both

large language model (2) macro f1 score (1) molecular structure (1) smiles parsing (1) graph-level understanding (1) selfies representation (1) validity constraint (1) chemical language model (1) text molecule translation (1) molecular pretraining (1)

Papers

How to Make Large Language Models Generate 100% Valid Molecules? EMNLP 2025 Improving Chemical Understanding of LLMs via SMILES Parsing EMNLP 2025 MolXPT: Wrapping Molecules with Text for Generative Pre-training ACL 2023 BERTChem-DDI : Improved Drug-Drug Interaction Prediction from text using Chemical Structure Information AACL 2020