Michael E. Fortunato

Orcid: 0000-0003-1344-5642

According to our database1, Michael E. Fortunato authored at least 6 papers between 2017 and 2024.

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

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

On csauthors.net:

Bibliography

2024
Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.
J. Comput. Aided Mol. Des., December, 2024

2022
Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks.
J. Chem. Inf. Model., 2022

2021
Update 1.1 to "pysimm: A python package for simulation of molecular systems", (PII: S2352711016300395).
SoftwareX, 2021

2020
Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning.
J. Chem. Inf. Model., 2020

2018
Update 0.2 to "pysimm: A python package for simulation of molecular systems".
SoftwareX, 2018

2017
pysimm: A python package for simulation of molecular systems.
SoftwareX, 2017


  Loading...