On-device research index

arXiv research

A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.

168,695 papers · 148 categories

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3 results for “synthon”

Compositional Deep Probabilistic Models of DNA Encoded Librariesq-bio.QM

A deep probabilistic model analyzes DNA-encoded library data for efficient screening.

problem Complex data from DNA-encoded library experiments mask underlying signals.

method Compositional deep probabilistic model of DEL data, modeling latent reactions between synthons.

result DEL-Compose model demonstrates strong performance and valuable insights.

DNA-encoded libraries machine learning deep probabilistic models synthon latent reactions

2023-10-20abs ↗pdf ↗

Learning Graph Models for Retrosynthesis Predictioncs.LG

Paper introduces a graph-based approach for retrosynthesis prediction.

problem Predicting precursor molecules for target molecules in organic synthesis.

method Graph-based approach that predicts graph edits and synthons expansion.

result Achieves top-1 accuracy of 53.7%.

retrosynthesis graph models neural networks chemical synthesis precursor molecules

2020-06-12abs ↗pdf ↗

A Graph to Graphs Framework for Retrosynthesis Predictioncs.LG

G2Gs transforms target molecules into reactants without templates, improving accuracy.

problem Predicting retrosynthesis from target molecules efficiently and accurately.

method Transforming target molecular graphs into reactant graphs via variational graph translation.

result G2Gs achieves top-1 accuracy close to state-of-the-art template-based methods.

retrosynthesis graph transformation variational graph translation molecular synthesis

2020-03-28abs ↗pdf ↗