Matteo Aldeghi

According to our database1, Matteo Aldeghi authored at least 9 papers between 2016 and 2022.

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

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2022
A graph representation of molecular ensembles for polymer property prediction.
CoRR, 2022

Self-focusing virtual screening with active design space pruning.
CoRR, 2022

On scientific understanding with artificial intelligence.
CoRR, 2022

Bayesian optimization with known experimental and design constraints for chemistry applications.
CoRR, 2022

2021
Golem: An algorithm for robust experiment and process optimization.
CoRR, 2021

Assigning Confidence to Molecular Property Prediction.
CoRR, 2021

2020
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
J. Comput. Aided Mol. Des., 2020

Olympus: a benchmarking framework for noisy optimization and experiment planning.
CoRR, 2020

2016
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions.
J. Chem. Inf. Model., 2016


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