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Retrosynthesis

Retrosynthetic analysis is a pivotal synthetic methodology in organic chemistry that employs a reverse-engineering approach, initiating from the target compound and retroactively tracing potential synthesis routes and precursor molecules. This technique proves instrumental in sculpting efficient synthetic strategies for intricate molecules, thus catalyzing the evolution and progression of novel pharmaceuticals and materials.

Papers

Showing 110 of 110 papers

TitleStatusHype
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNetsCode2
Chemformer: a pre-trained transformer for computational chemistryCode2
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis ConstraintsCode2
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task TuningCode2
Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language ModelsCode2
DirectMultiStep: Direct Route Generation for Multi-Step RetrosynthesisCode1
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional SearchCode1
A Model to Search for Synthesizable MoleculesCode1
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesisCode1
A Bayesian algorithm for retrosynthesisCode1
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