Agustin Kruel

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 4

Top Topics

Engineering Design Problems

Multi Objective Evolutionary Algorithms

Intelligent Optimization

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Andrew D. McNaughton, Gautham Ramalaxmi, Agustin Kruel, Carter R. Knutson, Rohith Anand Varikoti, Neeraj Kumar
CACTUS: Chemistry Agent Connecting Tool-Usage to Science. CoRR (2024)
Rohith Anand Varikoti, Katherine J. Schultz, Chathuri J. Kombala, Agustin Kruel, Kristoffer R. Brandvold, Mowei Zhou, Neeraj Kumar
Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV-2 main protease. J. Comput. Aided Mol. Des. 37 (8) (2023)
Agustin Kruel, Andrew D. McNaughton, Neeraj Kumar
Scaffold-Based Multi-Objective Drug Candidate Optimization. CoRR (2023)
Rajendra P. Joshi, Katherine J. Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J. Kombala, Daniel W. Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen B. Jonsson, Kristoffer R. Brandvold, Mowei Zhou, Martha S. Head, Andrey Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J. Chem. Inf. Model. 63 (5) (2023)