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01/29/2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
The recent advances in neural language models have also been successfull...
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02/02/2021
Unassisted Noise Reduction of Chemical Reaction Data Sets
Existing deep learning models applied to reaction prediction in organic ...
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12/09/2020
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
Organic reactions are usually assigned to classes containing reactions w...
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02/10/2020
Exploring Chemical Space using Natural Language Processing Methodologies for Drug Discovery
Text-based representations of chemicals and proteins can be thought of a...
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10/17/2019
Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy
We present an extension of our Molecular Transformer architecture combin...
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07/19/2019
An Information Extraction and Knowledge Graph Platform for Accelerating Biochemical Discoveries
Information extraction and data mining in biochemical literature is a da...
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11/06/2018
Molecular Transformer for Chemical Reaction Prediction and Uncertainty Estimation
Organic synthesis is one of the key stumbling blocks in medicinal chemis...
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11/13/2017
