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Beyond ManifoldEM: geometric relationships between manifold embeddings of a continuum of 3D molecular structures and their 2D projections
- Source :
- Digital Discovery.
- Publication Year :
- 2023
- Publisher :
- Royal Society of Chemistry (RSC), 2023.
-
Abstract
- This study explores the geometric relationships between manifolds of molecular conformers obtained from different types of experimental data.
Details
- ISSN :
- 2635098X
- Database :
- OpenAIRE
- Journal :
- Digital Discovery
- Accession number :
- edsair.doi...........b2acb0f3d757cb839a7437cb1481d256
- Full Text :
- https://doi.org/10.1039/d2dd00128d