Research shows conformer selection improves descriptor database quality in molecular feature libraries, suggesting better statistical modelling outcomes.
A foundational consideration in the development of computationally derived molecular feature libraries is the generation and selection of conformers. It has been shown that several feature values have a degree...
No takes yet. Share an insight, caveat, or question.
Cadge et al. (2025) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: