Papers Reagent Prediction
“Reagent Prediction” 태그가 달린 논문 4편 · 필터 해제
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions
The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science. However, its effectiveness is constrained by the vast and uncertain chemical reaction space and chal…
Chemical Reaction PredictionDrug DiscoveryForward reaction predictionLanguage Modeling+5BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced chall…
Drug DiscoveryForward reaction predictionMolecule CaptioningReagent Prediction+2Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized do…
Catalytic activity predictionChemical-Disease Interaction ExtractionChemical Entity RecognitionChemical-Protein Interaction Extraction+12Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design
Datasets in the Natural Sciences are often curated with the goal of aiding scientific understanding and hence may not always be in a form that facilitates the application of machine learning. In this paper, we identify t…
BIG-bench Machine LearningChemical Reaction PredictionPredictionReagent Prediction