William H. Green Jr.

According to our database, William H. Green Jr. authored at least 15 papers between 2003 and 2020.

Collaborative distances:

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

2020

Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.

Gabriele Scalia, Colin A. Grambow, Barbara Pernici, Yi-Pei Li, William H. Green Jr.

J. Chem. Inf. Model., 2020

Message Passing Networks for Molecules with Tetrahedral Chirality.

Lagnajit Pattanaik, Octavian-Eugen Ganea, Ian Coley, Klavs F. Jensen, William H. Green Jr., Connor W. Coley

CoRR, 2020

2019

RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application.

Connor W. Coley, William H. Green Jr., Klavs F. Jensen

J. Chem. Inf. Model., 2019

Evaluating Scalable Uncertainty Estimation Methods for DNN-Based Molecular Property Prediction.

Gabriele Scalia, Colin A. Grambow, Barbara Pernici, Yi-Pei Li, William H. Green Jr.

CoRR, 2019

Scalability strategies for automated reaction mechanism generation.

Agnes Jocher, Nick M. Vandewiele, Kehang Han, Mengjie Liu, Connie W. Gao, Ryan J. Gillis, William H. Green Jr.

Comput. Chem. Eng., 2019

2018

SCScore: Synthetic Complexity Learned from a Reaction Corpus.

Connor W. Coley, Luke Rogers, William H. Green Jr., Klavs F. Jensen

J. Chem. Inf. Model., 2018

2017

On-the-fly pruning for rate-based reaction mechanism generation.

Kehang Han, William H. Green Jr., Richard H. West

Comput. Chem. Eng., 2017

2016

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms.

Connie W. Gao, Joshua W. Allen, William H. Green Jr., Richard H. West

Comput. Phys. Commun., 2016

2013

Balanced Splitting and Rebalanced Splitting.

Raymond L. Speth, William H. Green Jr., Shev MacNamara, Gilbert Strang

SIAM J. Numer. Anal., 2013

Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation.

Gregory R. Magoon, William H. Green Jr.

Comput. Chem. Eng., 2013

2005

Global solution of semi-infinite programs.

B. Bhattacharjee, Panayiotis Lemonidis, William H. Green Jr., Paul I. Barton

Math. Program., 2005

Interval Methods for Semi-Infinite Programs.

Binita Bhattacharjee, William H. Green Jr., Paul I. Barton

Comput. Optim. Appl., 2005

A Collaborative Informatics Infrastructure for Multi-Scale Science.

James D. Myers, Thomas C. Allison, Sandra Bittner, Brett T. Didier, Michael Frenklach, William H. Green Jr., Yen-Ling Ho, John C. Hewson, Wendy S. Koegler, Carina Lansing, David Leahy, Michael Lee, Renata McCoy, Michael Minkoff, Sandeep Nijsure, Gregor von Laszewski, David Montoya, Luwi Oluwole, Carmen M. Pancerella, Reinhardt Pinzon, William Pitz, Larry A. Rahn, Branko Ruscic, Karen Schuchardt, Eric G. Stephan, Al Wagner, Theresa L. Windus, Christine L. Yang

Clust. Comput., 2005

2004

A Collaborative Informatics Infrastructure for Multi-scale Science.

James D. Myers, Thomas C. Allison, Sandra Bittner, Brett T. Didier, Michael Frenklach, William H. Green Jr., Yen-Ling Ho, John C. Hewson, Wendy S. Koegler, Carina Lansing, David Leahy, Michael Lee, Renata McCoy, Michael Minkoff, Sandeep Nijsure, Gregor von Laszewski, David Montoya, Carmen M. Pancerella, Reinhardt Pinzon, William Pitz, Larry A. Rahn, Branko Ruscic, Karen Schuchardt, Eric G. Stephan, Al Wagner, Theresa L. Windus, Christine L. Yang

Proceedings of the 2nd International Workshop on Challenges of Large Applications in Distributed Environments, 2004

2003

Metadata in the Collaboratory for Multi-Scale Chemical Science.

Carmen M. Pancerella, John C. Hewson, Wendy S. Koegler, David Leahy, Michael Lee, Larry A. Rahn, Christine L. Yang, James D. Myers, Brett T. Didier, Renata McCoy, Karen Schuchardt, Eric G. Stephan, Theresa L. Windus, Kaizar Amin, Sandra Bittner, Carina Lansing, Michael Minkoff, Sandeep Nijsure, Gregor von Laszewski, Reinhardt Pinzon, Branko Ruscic, Al Wagner, Baoshan Wang, William Pitz, Yen-Ling Ho, David Montoya, Lili Xu, Thomas C. Allison, William H. Green Jr., Michael Frenklach

Proceedings of the Supporting Communities of Discourse and Practice: Proceedings of the 2003 International Conference on Dublin Core and Metadata Applications, 2003