SOPHIA, a Knowledge Base-Guided Reaction Prediction System - Utilization of a Knowledge Base Derived from a Reaction Database

By Hiroko Satoh, Kimito Funatsu. 1995

Subfields: Knowledge Graphs & Representation, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Knowledge Graphs & Representation

1. Gisbert Schneider
2. Nils Weskamp
3. José Jiménez-Luna
4. Francesca Grisoni

In Computational Chemistry & Drug Discovery

1. C. Bekas
2. Philippe Schwaller
3. Gisbert Schneider
4. Teodoro Laino
5. Nils Weskamp
6. José Jiménez-Luna
7. David Lanyi
8. Francesca Grisoni

Citations in the corpus

• Artificial intelligence in drug discovery: recent advances and future perspectives (2021, methodology): “Some of the earlier approaches ranked candidate products using hard-coded reaction templates derived from data [177,179].”
• “Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models (2017, background): “Satoh and Funatsu [3,4] used various hard-coded criterion to perform the ranking whereas more recent approaches [5,6] used a deep neural network.”