William H. Green Jr.

According to our database1, William H. Green Jr. authored at least 15 papers between 2003 and 2020.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2020
Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.
J. Chem. Inf. Model., 2020

Message Passing Networks for Molecules with Tetrahedral Chirality.
CoRR, 2020

2019
RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application.
J. Chem. Inf. Model., 2019

Evaluating Scalable Uncertainty Estimation Methods for DNN-Based Molecular Property Prediction.
CoRR, 2019

Scalability strategies for automated reaction mechanism generation.
Comput. Chem. Eng., 2019

2018
SCScore: Synthetic Complexity Learned from a Reaction Corpus.
J. Chem. Inf. Model., 2018

2017
On-the-fly pruning for rate-based reaction mechanism generation.
Comput. Chem. Eng., 2017

2016
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms.
Comput. Phys. Commun., 2016

2013
Balanced Splitting and Rebalanced Splitting.
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.
Comput. Chem. Eng., 2013

2005
Global solution of semi-infinite programs.
Math. Program., 2005

Interval Methods for Semi-Infinite Programs.
Comput. Optim. Appl., 2005

A Collaborative Informatics Infrastructure for Multi-Scale Science.
Clust. Comput., 2005

2004

2003


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