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09/27/2022
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction
Retrosynthesis is a major task for drug discovery. It is formulated as a...
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09/16/2022
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug Discovery
The last decade has witnessed a prosperous development of computational ...
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12/20/2021
RetroComposer: Discovering Novel Reactions by Composing Templates for Retrosynthesis Prediction
The main target of retrosynthesis is to recursively decompose desired mo...
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05/30/2019