Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers

By Qingyou Zhang, João Aires-de-Sousa. 2005

63 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Computational Theory and Mathematics, Materials Chemistry, 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 Biomedical Engineering

1. Vijay S. Pande

In Computational Theory and Mathematics

1. Joseph Gomes
2. Bowen Liu
3. Vijay S. Pande
4. Bharath Ramsundar
5. Chaopeng Shen
6. Kyle Swanson
7. Abhinav Vishnu
8. Garrett B. Goh

In Materials Chemistry

1. Bharath Ramsundar
2. Vijay S. Pande
3. Bowen Liu
4. Joseph Gomes
5. Chaopeng Shen
6. Kyle Swanson
7. Nathan Oken Hodas
8. Abhinav Vishnu

In Computational Chemistry & Drug Discovery

1. Vijay S. Pande
2. Bowen Liu
3. Joseph Gomes
4. Bharath Ramsundar
5. Chaopeng Shen
6. Kyle Swanson
7. Abhinav Vishnu
8. Garrett B. Goh

Citations in the corpus

• Modelling Chemical Reasoning to Predict Reactions (2016, unknown): “N MeO2C O MeO2C MeO2C O N MeO2C + 6) Organic Letters, 17(10), 2385-2387; 2015 2) Journal of the American Chemical Society, 137(19), 6136-6139; 2015 1) Angewandte Chemie, International Edition, 54(38), 11196-11199; 2015”
• Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models (2017, methodology): “34 More recently, deep learning techniques have been applied to the reaction prediction task.”