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Nivya James

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Open access Sep 2026

TRPM8 virtual screening: the essential role of target-specific, inactive-enriched machine-learning scoring functions

Under inactive-enriched training, PLEC-based support vector regression (SVR) models achieved robust and strong VS performance, highlighting the critical role of learning the vast diversity of inactive molecules better during model training in developing predictive target-specific ML SFs for TRPM8 VS.

Nivya James, Pedro J. Ballester · 0 citations

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