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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
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
Chemformer: a pre-trained transformer for computational chemistryCode2
Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis PlanningCode1
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion GenerationCode1
Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert KnowledgeCode1
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional SearchCode1
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text PretrainingCode1
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