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Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1521-3838(200210)21:4<357::aid-qsar357>3.0.co;2-dopenalex-snapshot
Three-Dimensional Quantitative Structure Activity Relationship for Cyp2d6 Substrates
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/j.1460-2075.1986.tb04288.xopenalex-snapshot
The relation between the divergence of sequence and structure in proteins.
inferredcites →https://doi.org/10.1016/0024-3205(95)00223-sopenalex-snapshot
“It's the genes, stupid” Molecular bases and clinical consequences of genetic cytochrome P450 2D6 polymorphism
inferredcites →https://doi.org/10.1016/s0140-6736(78)91031-0openalex-snapshot
NON-INVASIVE METHOD FOR MEASURING CENTRAL VENOUS PRESSURE
inferredcites →https://doi.org/10.1016/s0968-0896(03)00525-xopenalex-snapshot
Comparative molecular field analysis and QSAR on substrates binding to cytochrome P450 2D6
inferredcites →https://doi.org/10.1021/c160017a018openalex-snapshot
The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/ci960090kopenalex-snapshot
Chemical Fragment Generation and Clustering Software
inferredcites →https://doi.org/10.1021/ci960151eopenalex-snapshot
Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
inferredcites →https://doi.org/10.1021/ci980159jopenalex-snapshot
Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00145a003openalex-snapshot
Comparative computer graphics and solution studies of the DNA interaction of substituted anthraquinones based on doxorubicin and mitoxantrone
inferredcites →https://doi.org/10.1021/jm0311240openalex-snapshot
Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors
inferredcites →https://doi.org/10.1021/jm049254bopenalex-snapshot
Greater Than the Sum of Its Parts: Combining Models for Useful ADMET Prediction
inferredcites →https://doi.org/10.1021/tx025674xopenalex-snapshot
Inhibition of Cytochrome P450 2D6: Structure−Activity Studies Using a Series of Quinidine and Quinine Analogues
inferredcites →https://doi.org/10.1089/dna.1993.12.1openalex-snapshot
The P450 Superfamily: Update on New Sequences, Gene Mapping, Accession Numbers, Early Trivial Names of Enzymes, and Nomenclature
inferredcites →https://doi.org/10.1097/00008571-199602000-00002openalex-snapshot
P450 superfamily: update on new sequences, gene mapping, accession numbers and nomenclature
inferredcites →https://doi.org/10.1177/1087057104274091openalex-snapshot
Development of CYP3A4 Inhibition Models: Comparisons of Machine-Learning Techniques and Molecular Descriptors
inferredcites →https://doi.org/10.1177/1087057105281365openalex-snapshot
Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
inferredcites →https://doi.org/10.2165/00003088-200140080-00003openalex-snapshot
Pharmacogenetics of Warfarin Elimination and its Clinical Implications
inferredcites →https://doi.org/10.3109/10408449209145319openalex-snapshot
The Human Hepatic Cytochromes P450 Involved in Drug Metabolism
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.200700082openalex-snapshot
AT1 Receptor Ligands: Virtual‐Screening‐Based Design with TOPP Descriptors, Synthesis, and Biological Evaluation of Pyrrolidine Derivatives
inferred← citeshttps://doi.org/10.1002/minf.201200004openalex-snapshot
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot
Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_16openalex-snapshot
Methods for Combinatorial and Parallel Library Design
inferred← citeshttps://doi.org/10.1007/s10822-013-9637-7openalex-snapshot
QSAR model based on weighted MCS trees approach for the representation of molecule data sets
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.06.051openalex-snapshot
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D- and 3D-descriptors
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2025.108489openalex-snapshot
3D-QSAR modeling with selection of local reactive descriptors (LRD) and molecular docking studies on diarylpyrazole-benzenesulfonamide derivatives
inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.11.010openalex-snapshot
Fragment library design: efficiently hunting drugs in chemical space
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.07.005openalex-snapshot
Understanding CYP2D6 interactions
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.01.002openalex-snapshot
The importance of the domain of applicability in QSAR modeling
inferred← citeshttps://doi.org/10.1021/ci7003237openalex-snapshot
Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure−Activity Relationships
inferred← citeshttps://doi.org/10.1021/ci800138nopenalex-snapshot
Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis
inferred← citeshttps://doi.org/10.1021/jm201346gopenalex-snapshot
Ligand-Based Design of a Potent and Selective Inhibitor of Cytochrome P450 2C19
inferred← citeshttps://doi.org/10.1039/9781782622376-00001openalex-snapshot
How Physicochemical Properties of Drugs Affect Their Metabolism and Clearance
inferred← citeshttps://doi.org/10.1039/9781847558879-00044openalex-snapshot
Topological Pharmacophores
inferred← citeshttps://doi.org/10.1039/c1md00164gopenalex-snapshot
Discovery of CP-866,087, a mu opioid receptor antagonist for the treatment of alcohol abuse and dependence
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1423376openalex-snapshot
Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers
inferred← citeshttps://doi.org/10.1124/dmd.109.028134openalex-snapshot
Molecular Properties and CYP2D6 Substrates: Central Nervous System Therapeutics Case Study and Pattern Analysis of a Substrate Database
inferred← citeshttps://doi.org/10.1517/17425250903158940openalex-snapshot
QSAR of cytochrome inhibitors
inferred← citeshttps://doi.org/10.1517/17425255.2013.800482openalex-snapshot
In vitroapproaches to investigate cytochrome P450 activities: update on current status and their applicability
inferred← citeshttps://doi.org/10.2174/1568026611313090004openalex-snapshot
Pharmacophore Modeling for Antitargets
inferred← citeshttps://doi.org/10.2174/978160805379711201010119openalex-snapshot
Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors
inferred← citeshttps://doi.org/10.3390/molecules21111554openalex-snapshot
Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors
inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch044openalex-snapshot
Rational Drug Design Rational Drug Design
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