Author

J J Li

Purdue University West LafayettePrimary ORCID profile (0000-0001-7175-2320 · 1 paper)Unclaimed ORCID profile · follow to get notified of new preprints

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Same name, identified by ORCID

J J LiiD1 paper · University of Hong Kong

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:differential expression· 1 Approach:experimental assay· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Anton V. SinitskiyiD· 2 shared Bat‐Erdene JugderiD· 1 shared Bhuvan Reddy Basangari· 1 shared Bo YangiD· 1 shared Byeongtak Lee· 1 shared Chijian Xiang· 1 shared Dheeraj Thuvara· 1 shared Gokul Sathishkumar· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 27 mutual co-author links

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2 shared papersBioinformatics

Anton V. SinitskiyORCID

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2 papers

Recent·Most cited

StructureSAFE: A structure-aware chemical language model for unified hit identification and lead optimization

Bo Yang, Ke Xu, Chijian Xiang, Byeongtak Lee, Yunong Xu, Tongtong Li, Yutong Shi, Anton V. Sinitskiy, J J Li

StructureSAFE is a chemical language model that combines protein structure and evolutionary information with molecular representations to improve hit identification and lead optimization, achieving state-of-the-art performance in chemical plausibility and binding affinity prediction.

bioRxiv · Jul 2, 2026 · PreprintBioinformatics

Practical Use of Advanced AI Frameworks on Real-Life Scientific Problems: Three Case Studies

Halime Sadiye Alagoz Gulluoglu, Jibin Baby, Kirti Mahesh Bagul, Bhuvan Reddy Basangari, Sai Akash Bathini, Nikhil Kumar Reddy Chalamalla, Jude Dcunha, Om Gupta, L Huang, Xutong Jiang, Yashas Rajanna Naidu, Gokul Sathishkumar, Mayank Sehrawat, Sravana Lakshmi Thota, Dheeraj Thuvara, , Anton V. Sinitskiy

This paper evaluates agentic AI systems on three scientific tasks, finding that human-led AI-assisted work outperforms autonomous systems, with one AI matching human performance in property prediction.

bioRxiv · Jun 29, 2026 · PreprintBioinformatics