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Selection of Molecules Based on Shape and Electrostatic Similarity: Proof of Concept of “Electroforms”

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
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Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation
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General atomic and molecular electronic structure system
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Variable selection and model validation of 2D and 3D molecular descriptors>
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Molecular shape and electrostatics in the encoding of relevant chemical information
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Assessing the performance of OMEGA with respect to retrieving bioactive conformations
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Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds
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Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors
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Do Structurally Similar Ligands Bind in a Similar Fashion?
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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
inferredcites →https://doi.org/10.2174/1381612053507549openalex-snapshot
New Methodologies for Ligand-Based Virtual Screening

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