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ACS Catalysis· 2026Q1

Feature Selection in Multivariate Linear Regression Models for Data-Efficient Reaction Optimization

Alexandre A. Schoepfer, Rubén Laplaza, Jérôme Waser, Clemence Corminboeuf

Short summary

NaviCat ReaFS, a new framework, systematically benchmarks feature selection methods for multivariate linear regression in low-data reaction optimization, reducing overfitting risk and experiment costs.

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Field: Materials Chemistry

Materials ChemistryMaterials Science