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VAMMPIRE-LORD: A Web Server for Straightforward Lead Optimization Using Matched Molecular Pairs

https://doi.org/10.1021/ci5005256
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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/minf.201200040openalex-snapshot
Impact of X‐Ray Structure on Predictivity of Scoring Functions: PPARγ Case Study
inferredcites →https://doi.org/10.1007/978-3-540-78246-9_38openalex-snapshot
KNIME: The Konstanz Information Miner
inferredcites →https://doi.org/10.1016/j.drudis.2013.03.003openalex-snapshot
Matched Molecular Pair Analysis in drug discovery
inferredcites →https://doi.org/10.1021/ci00028a014openalex-snapshot
Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information
inferredcites →https://doi.org/10.1021/ci0503964openalex-snapshot
The Quest for Bioisosteric Replacements
inferredcites →https://doi.org/10.1021/ci100084sopenalex-snapshot
WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry
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/ci400201kopenalex-snapshot
3D Matched Pairs: Integrating Ligand- and Structure-Based Knowledge for Ligand Design and Receptor Annotation
inferredcites →https://doi.org/10.1021/ci400694qopenalex-snapshot
Fuzzy Matched Pairs: A Means To Determine the Pharmacophore Impact on Molecular Interaction
inferredcites →https://doi.org/10.1021/ci500081mopenalex-snapshot
Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results
inferredcites →https://doi.org/10.1021/ci500245dopenalex-snapshot
OOMMPPAA: A Tool To Aid Directed Synthesis by the Combined Analysis of Activity and Structural Data
inferredcites →https://doi.org/10.1021/ci900450mopenalex-snapshot
Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
inferredcites →https://doi.org/10.1021/jm048957qopenalex-snapshot
The PDBbind Database: Methodologies and Updates
inferredcites →https://doi.org/10.1021/jm0605233openalex-snapshot
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
inferredcites →https://doi.org/10.1021/jm200452dopenalex-snapshot
Matched Molecular Pairs as a Medicinal Chemistry Tool
inferredcites →https://doi.org/10.1021/jm300131xopenalex-snapshot
The Experimental Uncertainty of Heterogeneous Public Ki Data
inferredcites →https://doi.org/10.1021/jm400223yopenalex-snapshot
VAMMPIRE: A Matched Molecular Pairs Database for Structure-Based Drug Design and Optimization
inferredcites →https://doi.org/10.1021/jm500022qopenalex-snapshot
Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity
inferredcites →https://doi.org/10.1021/jm960803qopenalex-snapshot
Synthesis and Biological Evaluation of the 1,5-Diarylpyrazole Class of Cyclooxygenase-2 Inhibitors: Identification of 4-[5-(4-Methylphenyl)-3- (trifluoromethyl)-1 H -pyrazol-1-yl]benzenesulfonamide (SC-58635, Celecoxib)
inferredcites →https://doi.org/10.1023/b:jcam.0000017375.61558.adopenalex-snapshot
Comparison of correlation vector methods for ligand-based similarity searching
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1093/nar/gks1059openalex-snapshot
SwissBioisostere: a database of molecular replacements for ligand design
inferredcites →https://doi.org/10.1093/nar/gkv1356openalex-snapshot
The 2016 database issue ofNucleic Acids Researchand an updated molecular biology database collection
inferredcites →https://doi.org/10.1186/1758-2946-1-12openalex-snapshot
Small Molecule Subgraph Detector (SMSD) toolkit
inferredcites →https://doi.org/10.1371/journal.pone.0061007openalex-snapshot
Comparability of Mixed IC50 Data – A Statistical Analysis
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/cmdc.201700628openalex-snapshot
Exploring Structure–Activity Relationships with Three‐Dimensional Matched Molecular Pairs—A Review
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12347-9openalex-snapshot
Matched Molecular Pair Analysis
inferred← citeshttps://doi.org/10.1016/j.csbj.2016.12.003openalex-snapshot
Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations
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.jcim.2c00695openalex-snapshot
Prioritizing Virtual Screening with Interpretable Interaction Fingerprints
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00335openalex-snapshot
Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00615openalex-snapshot
Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c01787openalex-snapshot
Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications
inferred← citeshttps://doi.org/10.1080/03602532.2021.1874406openalex-snapshot
Molecular modeling approaches to address drug-metabolizing enzymes (DMEs) mediated chemoresistance: a review
inferred← citeshttps://doi.org/10.1093/bioinformatics/bty757openalex-snapshot
Development of a protein–ligand extended connectivity (PLEC) fingerprint and its application for binding affinity predictions
inferred← citeshttps://doi.org/10.1186/s13321-016-0119-5openalex-snapshot
11th German Conference on Chemoinformatics (GCC 2015)
inferred← citeshttps://doi.org/10.2751/jcac.16.15openalex-snapshot
A Mini-review on Chemoinformatics Approaches for Drug Discovery
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