David Van Vranken

According to our database, David Van Vranken authored at least 4 papers between 2022 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

PMechDB: A Public Database of Elementary Polar Reaction Steps.

Mohammadamin Tavakoli, Ryan J. Miller, Mirana Angel, Michael A. Pfeiffer, Eugene S. Gutman, Aaron Mood, David Van Vranken, Pierre Baldi

J. Chem. Inf. Model., 2024

2023

RMechDB: A Public Database of Elementary Radical Reaction Steps.

Mohammadamin Tavakoli, Yin Ting T. Chiu, Pierre Baldi, Ann Marie Carlton, David Van Vranken

J. Chem. Inf. Model., February, 2023

AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning.

Mohammadamin Tavakoli, Pierre Baldi, Ann Marie Carlton, Yin Ting T. Chiu, Alexander Shmakov, David Van Vranken

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity.

Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi

J. Chem. Inf. Model., 2022