Andrew D. White

According to our database, Andrew D. White authored at least 34 papers between 2003 and 2024.

Collaborative distances:

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

2024

Augmenting large language models with chemistry tools.

Andres M. Bran, Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew D. White, Philippe Schwaller

Nat. Mac. Intell., 2024

Language agents achieve superhuman synthesis of scientific knowledge.

Michael D. Skarlinski, Sam Cox, Jon M. Laurent, James D. Braza, Michaela M. Hinks, Michael J. Hammerling, Manvitha Ponnapati, Samuel G. Rodriques, Andrew D. White

CoRR, 2024

LAB-Bench: Measuring Capabilities of Language Models for Biology Research.

Jon M. Laurent, Joseph D. Janizek, Michael Ruzo, Michaela M. Hinks, Michael J. Hammerling, Siddharth Narayanan, Manvitha Ponnapati, Andrew D. White, Samuel G. Rodriques

CoRR, 2024

A Review of Large Language Models and Autonomous Agents in Chemistry.

Mayk Caldas Ramos, Christopher J. Collison, Andrew D. White

CoRR, 2024

2023

Bloom filters for molecules.

Jorge Medina, Andrew D. White

J. Cheminformatics, December, 2023

Serverless Prediction of Peptide Properties with Recurrent Neural Networks.

Mehrad Ansari, Andrew D. White

J. Chem. Inf. Model., April, 2023

PaperQA: Retrieval-Augmented Generative Agent for Scientific Research.

Jakub Lála, Odhran O'Donoghue, Aleksandar Shtedritski, Sam Cox, Samuel G. Rodriques, Andrew D. White

CoRR, 2023

Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks.

Mayk Caldas Ramos, Andrew D. White

CoRR, 2023

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon.

Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M. Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik

CoRR, 2023

Active Learning in Symbolic Regression with Physical Constraints.

Jorge Medina, Andrew D. White

CoRR, 2023

Censoring chemical data to mitigate dual use risk.

Quintina L. Campbell, Jonathan Herington, Andrew D. White

CoRR, 2023

Bayesian Optimization of Catalysts With In-context Learning.

Mayk Caldas Ramos, Shane S. Michtavy, Marc D. Porosoff, Andrew D. White

CoRR, 2023

Recent advances in the Self-Referencing Embedding Strings (SELFIES) library.

Alston Lo, Robert Pollice, AkshatKumar Nigam, Andrew D. White, Mario Krenn, Alán Aspuru-Guzik

CoRR, 2023

2022

Federated learning of molecular properties with graph neural networks in a heterogeneous setting.

Wei Zhu, Jiebo Luo, Andrew D. White

Patterns, 2022

SELFIES and the future of molecular string representations.

Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik

Patterns, 2022

Simulation-based inference with approximately correct parameters via maximum entropy.

Rainier Barrett, Mehrad Ansari, Gourab Ghoshal, Andrew D. White

Mach. Learn. Sci. Technol., 2022

2021

Investigating Active Learning and Meta-Learning for Iterative Peptide Design.

Rainier Barrett, Andrew D. White

J. Chem. Inf. Model., 2021

Federated Learning of Molecular Properties in a Heterogeneous Setting.

Wei Zhu, Andrew D. White, Jiebo Luo

CoRR, 2021

City-wide modeling of Vehicle-to-Grid Economics to Understand Effects of Battery Performance.

Heta A. Gandhi, Andrew D. White

CoRR, 2021

2020

HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine.

Rainier Barrett, Maghesree Chakraborty, Dilnoza Amirkulova, Heta A. Gandhi, Geemi P. Wellawatte, Andrew D. White

J. Open Source Softw., 2020

Graph Neural Network Based Coarse-Grained Mapping Prediction.

Zhiheng Li, Geemi P. Wellawatte, Maghesree Chakraborty, Heta A. Gandhi, Chenliang Xu, Andrew D. White

CoRR, 2020

2019

Iterative Peptide Modeling With Active Learning And Meta-Learning.

Rainier Barrett, Andrew D. White

CoRR, 2019

2013

Standardizing and Simplifying Analysis of Peptide Library Data.

Andrew D. White, Andrew J. Keefe, Ann K. Nowinski, Qing Shao, Kyle Caldwell, Shaoyi Jiang

J. Chem. Inf. Model., 2013

2009

An innovative model of supply chain management: a single case study in the electronic sector.

Andrew D. White, Mohdzaher B. Mohdzain

Int. J. Inf. Technol. Manag., 2009

2008

A WiMAX Payload for High Altitude Platform Experimental Trials.

John Thornton, Andrew D. White, Tim C. Tozer

EURASIP J. Wirel. Commun. Netw., 2008

2007

The adoption of consortium B2B e-marketplaces: An exploratory study.

Andrew D. White, Elizabeth M. Daniel, John M. Ward, Hugh Wilson

J. Strateg. Inf. Syst., 2007

2005

The role of emergent information technologies and systems in enabling supply chain agility.

Andrew D. White, Elizabeth M. Daniel, Mohdzaher B. Mohdzain

Int. J. Inf. Manag., 2005

The future of inter-organisational system linkages: findings of an international Delphi study.

Elizabeth M. Daniel, Andrew D. White

Eur. J. Inf. Syst., 2005

2004

The impact of e-marketplaces on dyadic buyer-supplier relationships: evidence from the healthcare sector.

Andrew D. White, Elizabeth M. Daniel

J. Enterp. Inf. Manag., 2004

Exploring the role of third parties in inter-organizational Web service adoption.

Elizabeth M. Daniel, Andrew D. White, John M. Ward

J. Enterp. Inf. Manag., 2004

The impact of e-marketplaces on buyersupplier relationships: a cross industry perspective of the ''move to the middle'' hypothesis.

Andrew D. White, Elizabeth M. Daniel, M. Wilkinson

Int. J. Inf. Technol. Manag., 2004

Electronic marketplaces: an empirical study in the UK healthcare sector.

Andrew D. White, Elizabeth M. Daniel

Int. J. Electron. Bus., 2004

A framework for the sustainability of e-marketplaces.

Elizabeth M. Daniel, John A. Hoxmeier, Andrew D. White, A. Smart

Bus. Process. Manag. J., 2004

2003

Electronic marketplace-to-marketplace alliances: emerging trends and strategic rationales.

Andrew D. White, Elizabeth M. Daniel

Proceedings of the 5th International Conference on Electronic Commerce, 2003