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Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules

https://doi.org/10.1021/ci300293f
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Natural Product-Like Fragments Unlock Novel Chemotypes for a Kinase Target – Exploring Options beyond the Flatland
inferred← citeshttps://doi.org/10.1128/aac.01814-24openalex-snapshot
A rational approach to discovering new persister control agents
inferred← citeshttps://doi.org/10.1186/s13321-014-0051-5openalex-snapshot
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints
inferred← citeshttps://doi.org/10.1186/s13321-023-00737-5openalex-snapshot
PyL3dMD: Python LAMMPS 3D molecular descriptors package
inferred← citeshttps://doi.org/10.1186/s13321-024-00930-0openalex-snapshot
Interface-aware molecular generative framework for protein–protein interaction modulators
inferred← citeshttps://doi.org/10.1515/psr-2018-0101openalex-snapshot
Fundamental physical and chemical concepts behind “drug-likeness” and “natural product-likeness”
inferred← citeshttps://doi.org/10.3390/app11010301openalex-snapshot
Combining 3D Structured Light Imaging and Spine X-ray Data Improves Visualization of the Spinous Lines in the Scoliotic Spine
inferred← citeshttps://doi.org/10.3390/molecules25173949openalex-snapshot
Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains
inferred← citeshttps://doi.org/10.3390/molecules28041777openalex-snapshot
Green Drug Discovery: Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (CyreneTM)
inferred← citeshttps://doi.org/10.3390/pharmaceutics18081018openalex-snapshot
Evaluating the Incremental Value of Three-Dimensional Conformer Descriptors for Blood–Brain Barrier Permeability Prediction Using the B3DB Benchmark Dataset
inferred← citeshttps://doi.org/10.4155/fmc-2016-0095openalex-snapshot
On the Origins of Three-Dimensionality in Drug-Like Molecules
inferred← citeshttps://doi.org/10.6084/m9.figshare.26607286openalex-snapshot
Additional file 1 of PyL3dMD: Python LAMMPS 3D molecular descriptors package
inferred← citeshttps://doi.org/10.64898/2026.02.05.703948openalex-snapshot
Macro-Equi-Diff (MED): Scaffold-based Macrocycles Generation Using Equivariant Diffusion
inferred← citeshttps://doi.org/10.70675/ff9e5fd3za154z4b07zb082z0544574f7124openalex-snapshot
Rational design of bioactive molecules for antibiotic purposes
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