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Bioisosteric Replacements Extracted from High‐Quality Structures in the Protein Databank
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527654307.ch4openalex-snapshot
B ioster : A Database of Bioisosteres and Bioanalogues
inferredcites →https://doi.org/10.1002/cmdc.200800178openalex-snapshot
On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces
inferredcites →https://doi.org/10.1002/minf.201000019openalex-snapshot
Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
inferredcites →https://doi.org/10.1002/minf.201400037openalex-snapshot
Bioisosteres and Scaffold Hopping in Medicinal Chemistry
inferredcites →https://doi.org/10.1002/qsar.200290001openalex-snapshot
Scaffold Searching: Automated Identification of Similar Ring Systems for the Design of Combinatorial Libraries
inferredcites →https://doi.org/10.1007/s10822-006-9072-0openalex-snapshot
Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data
inferredcites →https://doi.org/10.1016/s1093-3263(98)00012-6openalex-snapshot
World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches
inferredcites →https://doi.org/10.1021/acs.jcim.6b00519openalex-snapshot
Structural Isosteres of Phosphate Groups in the Protein Data Bank
inferredcites →https://doi.org/10.1021/acs.jmedchem.5b01963openalex-snapshot
Structure Property Relationships of Carboxylic Acid Isosteres
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci0100806openalex-snapshot
The Most Common Chemical Replacements in Drug-Like Compounds
inferredcites →https://doi.org/10.1021/ci025589vopenalex-snapshot
Calculation of Intersubstituent Similarity Using R-Group Descriptors
inferredcites →https://doi.org/10.1021/ci0503964openalex-snapshot
The Quest for Bioisosteric Replacements
inferredcites →https://doi.org/10.1021/ci100258popenalex-snapshot
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity
inferredcites →https://doi.org/10.1021/ci400020aopenalex-snapshot
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs
inferredcites →https://doi.org/10.1021/ci900078hopenalex-snapshot
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci990263gopenalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors
inferredcites →https://doi.org/10.1021/jm1013693openalex-snapshot
Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design
inferredcites →https://doi.org/10.1023/a:1013115500749openalex-snapshot
Calculating the knowledge-based similarity of functional groups using crystallographic data
inferredcites →https://doi.org/10.1039/c1md00066gopenalex-snapshot
Identification of target family directed bioisosteric replacements
inferredcites →https://doi.org/10.1039/cs9790800563openalex-snapshot
Isosterism and molecular modification in drug design
inferredcites →https://doi.org/10.1093/nar/gks1059openalex-snapshot
SwissBioisostere: a database of molecular replacements for ligand design
inferredcites →https://doi.org/10.2174/092986705774933452openalex-snapshot
Phosphate Isosteres in Medicinal Chemistry
inferredcites →https://doi.org/10.4155/fmc.10.293openalex-snapshot
Large-Scale Exploration of Bioisosteric Replacements on the Basis of Matched Molecular Pairs
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc259openalex-snapshot
The Design and Application of Bioisosteres in Drug Design
inferred← citeshttps://doi.org/10.1002/slct.202104232openalex-snapshot
Scrutiny of Novel Tosylacrylimidamide as Non‐Classical Bioisosteres of Sulfonylurea in Type II Diabetes Mellitus through Synthesis, In Vitro and Docking Studies
inferred← citeshttps://doi.org/10.1007/978-3-031-20730-3_20openalex-snapshot
Identification of Structural Alerts by Machine Learning and Their Applications in Toxicology
inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00023-2openalex-snapshot
A systematic chemoinformatic analysis of chemical space, scaffolds and antimicrobial activity of LpxC inhibitors
inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116151openalex-snapshot
AMPA receptor neurotransmission and therapeutic applications: A comprehensive review of their multifaceted modulation
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119041openalex-snapshot
SENSAAS-Bioisostere: A computational method for 3D shape-guided bioisosteric replacements and scaffold-hopping
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.0c00006openalex-snapshot
Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00583openalex-snapshot
The Derivation of a Matched Molecular Pairs Based ADME/Tox Knowledge Base for Compound Optimization
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c01641openalex-snapshot
A Data-Driven Perspective on Bioisostere Evaluation: Mapping the Benzene Bioisostere Landscape with BioSTAR
inferred← citeshttps://doi.org/10.1021/acsomega.3c02243openalex-snapshot
Identified Isosteric Replacements of Ligands’ Glycosyl Domain by Data Mining
inferred← citeshttps://doi.org/10.1093/nar/gkab1047openalex-snapshot
SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface
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/10.21203/rs.3.rs-955132/v1openalex-snapshot
Identification of Isosteric Replacements of Glycosyl Domain of Ligands by Data Mining
inferred← citeshttps://doi.org/10.2174/1573409915666190704093400openalex-snapshot
MolOpt: A Web Server for Drug Design using Bioisosteric Transformation
inferred← citeshttps://doi.org/10.3762/bjoc.16.108openalex-snapshot
Synthesis, antiinflammatory activity, and molecular docking studies of bisphosphonic esters as potential MMP-8 and MMP-9 inhibitors
inferred← citeshttps://doi.org/10.47749/t/unicamp.2022.1373686openalex-snapshot
Desenvolvimento de derivados de produtos naturais e hits com atividades anti-inflamatória, antinociceptiva e antineoplásica
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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