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Reagent Prediction

Reagent prediction endeavors to ascertain the suitable catalysts, solvents, or ancillary substances required for a specific chemical reaction. This endeavor facilitates chemists in uncovering novel reaction types and mechanisms, identifying more optimal or eco-friendly reaction conditions, and ultimately streamlining the comprehensive chemical process to attain maximal cost-effectiveness and environmental stewardship.

Papers

Showing 14 of 4 papers

TitleStatusHype
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task TuningCode2
Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language ModelsCode2
Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design0
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