Forward reaction prediction
3 papers with code • 1 benchmarks • 0 datasets
Forward reaction prediction pertains to the anticipatory determination of the probable product(s) of a chemical reaction, given specific reactants and reagents. This facilitates the optimization of research and development methodologies, curbs the extent of experimental speculation, and endorses greener chemistry practices by mitigating waste production.
Benchmarks
These leaderboards are used to track progress in Forward reaction prediction
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Most implemented papers
Mol-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.
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
QizhiPei/BioT5
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However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of molecular structures, particularly in their textual representations (e. g., IUPAC).
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions
ai-hpc-research-team/slm4crp
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The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science.
