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Calculation of Intersubstituent Similarity Using R-Group Descriptors
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
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World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches
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The Most Common Chemical Replacements in Drug-Like Compounds
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The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
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Prediction of Physicochemical Parameters by Atomic Contributions
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Bioisosterism: A Rational Approach in Drug Design
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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
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Computational methods for the structural alignment of molecules
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Calculating the knowledge-based similarity of functional groups using crystallographic data
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527654307.ch13openalex-snapshot
Perspectives from Medicinal Chemistry
inferred← citeshttps://doi.org/10.1002/9783527654307.ch4openalex-snapshot
B ioster : A Database of Bioisosteres and Bioanalogues
inferred← citeshttps://doi.org/10.1002/9783527654307.ch6openalex-snapshot
Mining for Context‐Sensitive Bioisosteric Replacements in Large Chemical Databases
inferred← citeshttps://doi.org/10.1002/chin.200321201openalex-snapshot
Calculation of Intersubstituent Similarity Using R‐Group Descriptors.
inferred← citeshttps://doi.org/10.1002/chin.200449217openalex-snapshot
Comparison of 2D Similarity and 3D Superposition. Application to Searching a Conformational Drug Database.
inferred← citeshttps://doi.org/10.1002/cmdc.201700679openalex-snapshot
Bioisosteric Replacements Extracted from High‐Quality Structures in the Protein Databank
inferred← citeshttps://doi.org/10.1002/minf.201000019openalex-snapshot
Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
inferred← citeshttps://doi.org/10.1002/qsar.200510102openalex-snapshot
Use Of The R-Group Descriptor for Alignment-Free QSAR
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
inferred← citeshttps://doi.org/10.1002/wcms.1148openalex-snapshot
In silico applications of bioisosterism in contemporary medicinal chemistry practice
inferred← citeshttps://doi.org/10.1007/978-3-642-45149-2_3openalex-snapshot
Characterising Heterocyclic Rings Through Quantum Chemical Topology
inferred← citeshttps://doi.org/10.1007/s10822-006-9072-0openalex-snapshot
Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data
inferred← citeshttps://doi.org/10.1016/j.jmb.2004.08.092openalex-snapshot
A Structural Similarity Analysis of Double-helical DNA
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02009-3openalex-snapshot
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00122openalex-snapshot
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure
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Comparison of 2 D Similarity and 3 D Superposition. Application to Searching a Conformational Drug Database
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Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity
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Characterization of Heterocyclic Rings through Quantum Chemical Topology
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sc-PDB-Frag: A Database of Protein–Ligand Interaction Patterns for Bioisosteric Replacements
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Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
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Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening
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Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design
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HierS: Hierarchical Scaffold Clustering Using Topological Chemical Graphs
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Bond order predictions using deep neural networks
inferred← citeshttps://doi.org/10.1093/nar/gkaa367openalex-snapshot
Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
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Atomic Charge Calculator III: a modern platform for calculating partial atomic charges
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SwissBioisostere: a database of molecular replacements for ligand design
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Bioisosteric Replacement of Molecular Scaffolds: From Natural Products to Synthetic Compounds
inferred← citeshttps://doi.org/10.1186/s13321-015-0107-1openalex-snapshot
High-quality and universal empirical atomic charges for chemoinformatics applications
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NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
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Optimized SQE atomic charges for peptides accessible via a web application
inferred← citeshttps://doi.org/10.1186/s13321-024-00801-8openalex-snapshot
BioisoIdentifier: an online free tool to investigate local structural replacements from PDB
inferred← citeshttps://doi.org/10.17863/cam.16274openalex-snapshot
Molecular Similarity and Xenobiotic Metabolism
inferred← citeshttps://doi.org/10.3389/fchem.2019.00764openalex-snapshot
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship
inferred← citeshttps://doi.org/10.4155/fmc.10.293openalex-snapshot
Large-Scale Exploration of Bioisosteric Replacements on the Basis of Matched Molecular Pairs
inferred← citeshttps://doi.org/10.6084/m9.figshare.14889555openalex-snapshot
Additional file 1 of Optimized SQE atomic charges for peptides accessible via a web application
inferred← citeshttps://doi.org/10.6084/m9.figshare.14889570openalex-snapshot
Additional file 5 of Optimized SQE atomic charges for peptides accessible via a web application
inferred← citeshttps://doi.org/10.6084/m9.figshare.14889573openalex-snapshot
Additional file 6 of Optimized SQE atomic charges for peptides accessible via a web application
inferred← citeshttps://doi.org/10.6084/m9.figshare.24995469openalex-snapshot
Additional file 1 of BioisoIdentifier: an online free tool to investigate local structural replacements from PDB
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