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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Daniel J. Price

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Open access Jul 2026

Lipophilic Ligand Efficiency-Monitored Discovery of Potent, Achiral, and Bioavailable Apo-IDO1 Inhibitors.

This work describes the IDO1 inhibitor discovery and optimization effort, in which the lipophilic ligand efficiency index was used to track and guide drug-likeness, minimize entropic penalty, and deliver novel, potent, selective, and orally bioavailable apo-IDO1 inhibitors.

W. Kazmierski, Nagaraju Miriyala, M. A. De La Rosa et al. · 0 citations
Open access Aug 2026

Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery

This work presents a model validation framework consisting of five recommendations that would enable the community to move beyond aggregate metrics toward understanding where and why molecular property prediction models fail, and connects evaluation choices to real-world applications and case studies encountered in pha...

Srijit Seal, Akshat Shirish Zalte, David Alencar Araripe et al. · 0 citations

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