Browse State-of-the-Art › Reagent Prediction
Reagent Prediction
3 papers with code · 1 benchmark · 0 datasets archive 2025-07-28
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.
Description from the archive archive 2025-07-28.
Benchmarks archive 2025-07-28
1 leaderboard table shown for this task, 1 with rows (a “benchmark” on this site is a table with at least one row, as on /sota), ordered by row count. “Best model” is the first row in the archive's own order at snapshot; nothing is re-ranked here and metric direction is not recorded in the archive. PwC's Trend sparklines are not in the archive, so that column is omitted.
| Dataset | Best model (first row in archive order) | Paper | Code | Syntology | Compare |
|---|---|---|---|---|---|
| Mol-Instruction (2 rows) | SLM4CRP | A Self-feedback Knowledge Elicitation Approach for Chemical... | code | — | Compare |
Syntology column: samples harvested from the paper's repositories and executed on synthesized fixtures; “ran” is not a correctness claim and does not order the table. A dash means no Syntology record for that paper, not a recorded non-run. Read from the graph 2026-09-24.
Libraries
Not in the archive: the export carries no per-task library table, so there is nothing to show at snapshot 2025-07-28.
Datasets archive 2025-07-28
No dataset record in the archive lists this task.
Subtasks archive 2025-07-28
No subtask under this task in the archive's task tree.
Most implemented papers archive 2025-07-28
3 shown of 3 papers with code (4 tagged with this task in all), ordered by repositories listed in the archive, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers without a page here are shown as plain text.
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15 Apr 2024 1 repository listedThe task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science.
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27 Feb 2024 1 repository listedHowever, 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.
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13 Jun 2023 1 repository listed Syntology ran 2 of 2 samples · 0 unverifiedLarge Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields.
Syntology lines on 1 of the papers shown; no Syntology record for the others (a paper without an arXiv id cannot be joined to the graph, and absence from the graph layer is not a recorded non-run). “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced. Read from the graph 2026-09-24.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections