Babak Mahjour

11PUBLICATIONS
21CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsProcess control and simulationSemi- and unsupervised learningNatural language processingF-block chemistry
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Publications (11)

|Apr 09, 2026
Nanoscale Direct-to-Biology Optimization of Cdk2 Inhibitors.

James L Douthwaite, Damian J Houde, Eneida Pardo

|Sep 15, 2025
Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis.

Xiaoqi Sun, Jiannan Liu, Babak Mahjour

|Apr 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry.

John Bradshaw, Anji Zhang, Babak Mahjour

|Mar 15, 2024
RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS Queries.

Babak A Mahjour, Connor W Coley

|Feb 03, 2024
Exploring the combinatorial explosion of amine-acid reaction space via graph editing.

Rui Zhang, Babak Mahjour, Andrew Outlaw

|Jul 03, 2023
Rapid planning and analysis of high-throughput experiment arrays for reaction discovery.

Babak Mahjour, Rui Zhang, Yuning Shen

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Frequent Collaborators

5 joint publications

Tim Cernak

4 joint publications

Connor W Coley

3 joint publications

Yingfu Lin

3 joint publications

Yuning Shen