Search Results - "Nair, Vishnu H."

Automated extraction of chemical synthesis actions from experimental procedures by Vaucher, Alain C., Zipoli, Federico, Geluykens, Joppe, Nair, Vishnu H., Schwaller, Philippe, Laino, Teodoro

“…Experimental procedures for chemical synthesis are commonly reported in prose in patents or in the scientific literature. The extraction of the details…”
Get full text

Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy by Schwaller, Philippe, Petraglia, Riccardo, Zullo, Valerio, Nair, Vishnu H, Haeuselmann, Rico Andreas, Pisoni, Riccardo, Bekas, Costas, Iuliano, Anna, Laino, Teodoro

“…We present an extension of our Molecular Transformer model combined with a hyper-graph exploration strategy for automatic retrosynthesis route planning without…”
Get full text

Inferring experimental procedures from text-based representations of chemical reactions by Vaucher, Alain C., Schwaller, Philippe, Geluykens, Joppe, Nair, Vishnu H., Iuliano, Anna, Laino, Teodoro

“…The experimental execution of chemical reactions is a context-dependent and time-consuming process, often solved using the experience collected over multiple…”
Get full text

Mapping the space of chemical reactions using attention-based neural networks by Schwaller, Philippe, Probst, Daniel, Vaucher, Alain C., Nair, Vishnu H., Kreutter, David, Laino, Teodoro, Reymond, Jean-Louis

“…Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of…”
Get full text

Author Correction: Inferring experimental procedures from text-based representations of chemical reactions by Vaucher, Alain C., Schwaller, Philippe, Geluykens, Joppe, Nair, Vishnu H., Iuliano, Anna, Laino, Teodoro

Get full text

Data-driven Chemical Reaction Prediction and Retrosynthesis by Vishnu H Nair, Philippe Schwaller, Teodoro Laino

“…The synthesis of organic compounds, which is central to many areas such as drug discovery, material synthesis and biomolecular chemistry, requires chemists to…”
Get full text

Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks by Schwaller, Philippe, Probst, Daniel, Vaucher, Alain C, Nair, Vishnu H, Kreutter, David, Laino, Teodoro, Reymond, Jean-Louis

“…Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of…”
Get full text

Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy by Schwaller, Philippe, Petraglia, Riccardo, Zullo, Valerio, Nair, Vishnu H, Haeuselmann, Rico Andreas, Pisoni, Riccardo, Bekas, Costas, Iuliano, Anna, Laino, Teodoro

“…We present an extension of our Molecular Transformer architecture combined with a hyper-graph exploration strategy for automatic retrosynthesis route planning…”
Get full text