On the public citation graph

Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries

https://doi.org/10.1021/ci020368a

0 signed · 83 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/jcc.540160205openalex-snapshot

Poling: Promoting conformational variation

inferredcites →https://doi.org/10.1007/bf02174464openalex-snapshot

Automated chemical hypothesis generation and database searching with Catalyst®

inferredcites →https://doi.org/10.1016/s0960-894x(00)00156-6openalex-snapshot

Structure–activity relationship studies of flavopiridol analogues

inferredcites →https://doi.org/10.1016/s0960-894x(98)00691-xopenalex-snapshot

2,6,9-trisubstituted purines : Optimization towards highly potent and selective CDK1 inhibitors

inferredcites →https://doi.org/10.1021/ci950273ropenalex-snapshot

Identification of Common Functional Configurations Among Molecules

inferredcites →https://doi.org/10.1021/ci9601168openalex-snapshot

A QSAR Study of the Antimalarial Activity of Some Synthetic 1,2,4-Trioxanes

inferredcites →https://doi.org/10.1021/ci980159jopenalex-snapshot

Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design

inferredcites →https://doi.org/10.1021/ci990313hopenalex-snapshot

Pharmacophore Fingerprinting. 2. Application to Primary Library Design

inferredcites →https://doi.org/10.1021/jm000271kopenalex-snapshot

Pyrido[2,3-d]pyrimidin-7-one Inhibitors of Cyclin-Dependent Kinases

inferredcites →https://doi.org/10.1021/jm960596uopenalex-snapshot

HIV-1 Integrase Pharmacophore: Discovery of Inhibitors through Three-Dimensional Database Searching

inferredcites →https://doi.org/10.1021/jm980551oopenalex-snapshot

Use of a Pharmacophore Model for the Design of EGFR Tyrosine Kinase Inhibitors: Isoflavones and 3-Phenyl-4(1H)-quinolones

inferredcites →https://doi.org/10.1021/jm9900117openalex-snapshot

Pharmacophore Development for Corticotropin-Releasing Hormone: New Insights into Inhibitor Activity

inferredcites →https://doi.org/10.1021/jm990256jopenalex-snapshot

Cyclin-Dependent Kinase Inhibitors: Useful Targets in Cell Cycle Regulation

inferredcites →https://doi.org/10.1023/a:1008115004986openalex-snapshot

Structure-based design of potent CDK1 inhibitors derived from olomoucine

inferredcites →https://doi.org/10.1038/376313a0openalex-snapshot

Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex

inferredcites →https://doi.org/10.1111/j.1432-1033.1994.00771.xopenalex-snapshot

Inhibition of Cyclin‐Dependent Kinases by Purine Analogues

inferredcites →https://doi.org/10.1111/j.1432-1033.1997.0518a.xopenalex-snapshot

Inhibition of Cyclin‐Dependent Kinases by Purine Analogues

inferredcites →https://doi.org/10.1126/science.281.5376.538openalex-snapshot

Synthesis of Macroporous Minerals with Highly Ordered Three-Dimensional Arrays of Spheroidal Voids

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/0471141755.ph0907s27openalex-snapshot

Overview on the Use of Therapeutic Antibodies in Drug Discovery

inferred← citeshttps://doi.org/10.1002/9781394249190.ch8openalex-snapshot

Pharmacophore Modeling in Drug Design

inferred← citeshttps://doi.org/10.1002/9783527633326.ch5openalex-snapshot

Pharmacophore Models for Virtual Screening

inferred← citeshttps://doi.org/10.1002/9783527674381.ch10openalex-snapshot

Pharmacophore Generation for Multiple Ligands

inferred← citeshttps://doi.org/10.1002/chin.200249199openalex-snapshot

ChemInform Abstract: Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries.

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/minf.201400157openalex-snapshot

An Ab Initio Method for Designing Multi‐Target Specific Pharmacophores using Complementary Interaction Field of Aspartic Proteases

inferred← citeshttps://doi.org/10.1007/978-1-4939-8630-9_15openalex-snapshot

In Silico Screening of Compound Libraries Using a Consensus of Orthogonal Methodologies

inferred← citeshttps://doi.org/10.1007/978-3-030-31403-3_12openalex-snapshot

Pharmacophore Mapping of Natural Products for Pancreatic Lipase Inhibition

inferred← citeshttps://doi.org/10.1007/978-81-322-1780-0_4openalex-snapshot

Docking and Pharmacophore Modelling for Virtual Screening

inferred← citeshttps://doi.org/10.1007/978-981-16-8969-7_4openalex-snapshot

In Silico Drug Discovery for Treatment of Virus Diseases

inferred← citeshttps://doi.org/10.1007/978-981-99-1316-9_2openalex-snapshot

Computational Modelling and Simulations in Drug Design

inferred← citeshttps://doi.org/10.1007/s00044-011-9756-4openalex-snapshot

Ligand-based drug design studies using predictive pharmacophore model generation on 4H-1,2,4-triazoles as AT1 receptor antagonists

inferred← citeshttps://doi.org/10.1007/s00044-013-0571-yopenalex-snapshot

The discovery of potential cyclin A/CDK2 inhibitors: a combination of 3D QSAR pharmacophore modeling, virtual screening, and molecular docking studies

inferred← citeshttps://doi.org/10.1007/s10822-007-9140-0openalex-snapshot

Pharmacophore modeling and parallel screening for PPAR ligands

inferred← citeshttps://doi.org/10.1007/s10822-007-9163-6openalex-snapshot

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

inferred← citeshttps://doi.org/10.1007/s10822-014-9771-xopenalex-snapshot

Ensemble pharmacophore meets ensemble docking: a novel screening strategy for the identification of RIPK1 inhibitors

inferred← citeshttps://doi.org/10.1007/s10994-016-5556-xopenalex-snapshot

ILP-assisted de novo drug design

inferred← citeshttps://doi.org/10.1007/s12195-013-0304-9openalex-snapshot

Target-Bound Generated Pharmacophore Model to Improve the Pharmacophore-Based Virtual Screening: Identification of G-Protein Coupled Human CCR2 Receptors Inhibitors as Anti-Inflammatory Drugs

inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20276-8openalex-snapshot

Pharmacophore Development

inferred← citeshttps://doi.org/10.1016/b978-0-323-99137-7.00011-3openalex-snapshot

Alternative biological screening methods

inferred← citeshttps://doi.org/10.1016/bs.apha.2025.01.010openalex-snapshot

Pharmacophore modeling in drug design

inferred← citeshttps://doi.org/10.1016/j.aca.2006.08.031openalex-snapshot

Structure–activity relationship study of oxindole-based inhibitors of cyclin-dependent kinases based on least-squares support vector machines

inferred← citeshttps://doi.org/10.1016/j.bmc.2004.03.017openalex-snapshot

A predictive pharmacophore model of human melanocortin-4 receptor as derived from the solution structures of cyclic peptides

inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.07.018openalex-snapshot

The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method

inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.08.040openalex-snapshot

Performance evaluation of structure based and ligand based virtual screening methods on ten selected anti-cancer targets

inferred← citeshttps://doi.org/10.1016/j.cbi.2014.04.009openalex-snapshot

Colchicine effect on P-glycoprotein expression and activity: In silico and in vitro studies

inferred← citeshttps://doi.org/10.1016/j.drudis.2010.03.013openalex-snapshot

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.05.066openalex-snapshot

Combination of pharmacophore model development and binding mode analyses: Identification of ligand features essential for IκB kinase-beta (IKKβ) inhibitors and virtual screening based on it

inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.06.003openalex-snapshot

The use of a pharmacophore model for identification of novel ligands for the benzodiazepine binding site of the GABAA receptor

inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.07.002openalex-snapshot

Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.07.004openalex-snapshot

Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2

inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.06.006openalex-snapshot

Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors

inferred← citeshttps://doi.org/10.1016/j.jmgm.2023.108434openalex-snapshot

Application of computational methods for class A GPCR Ligand discovery

inferred← citeshttps://doi.org/10.1016/j.jtbi.2017.11.021openalex-snapshot

Exploration of Mycobacterium tuberculosis structural proteome: An in-silico approach

inferred← citeshttps://doi.org/10.1016/s1574-1400(05)01013-3openalex-snapshot

Chapter 13 Targeting the Kinome with Computational Chemistry

inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00020openalex-snapshot

BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping

inferred← citeshttps://doi.org/10.1021/ci030025sopenalex-snapshot

Data Shaving: A Focused Screening Approach

inferred← citeshttps://doi.org/10.1021/ci049920hopenalex-snapshot

Comparison of 2 D Similarity and 3 D Superposition. Application to Searching a Conformational Drug Database

inferred← citeshttps://doi.org/10.1021/ci200617dopenalex-snapshot

Ligand-Based Virtual Screening Approach Using a New Scoring Function

inferred← citeshttps://doi.org/10.1021/ci400429gopenalex-snapshot

An Integrated Virtual Screening Approach for VEGFR-2 Inhibitors

inferred← citeshttps://doi.org/10.1021/ci4005496openalex-snapshot

SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition

inferred← citeshttps://doi.org/10.1021/ci5003872openalex-snapshot

Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies

inferred← citeshttps://doi.org/10.1021/ci800101jopenalex-snapshot

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening

inferred← citeshttps://doi.org/10.1021/ci8004226openalex-snapshot

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

inferred← citeshttps://doi.org/10.1021/jm049896zopenalex-snapshot

Pruned Receptor Surface Models and Pharmacophores for Three-Dimensional Database Searching

inferred← citeshttps://doi.org/10.1021/jm061159aopenalex-snapshot

Discovery of Diaryl Imidazolidin-2-one Derivatives, a Novel Class of Muscarinic M3 Selective Antagonists (Part 1)

inferred← citeshttps://doi.org/10.1039/9781847558879-00076openalex-snapshot

Pharmacophore-based Virtual Screening in Drug Discovery

inferred← citeshttps://doi.org/10.1039/9781847558879-00268openalex-snapshot

Compound Library Design – Principles and Applications

inferred← citeshttps://doi.org/10.1039/c8ra00888dopenalex-snapshot

The unequivocal preponderance of biocomputation in clinical virology

inferred← citeshttps://doi.org/10.1055/s-0032-1323759openalex-snapshot

Virtual Screening and Synthesis of New Chemical Scaffolds as VEGFR-2 Kinase Inhibitors

inferred← citeshttps://doi.org/10.1080/07391102.2012.732341openalex-snapshot

A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model

inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot

Computational methods and software in computer-aided combinatorial library design

inferred← citeshttps://doi.org/10.1145/3487553.3524724openalex-snapshot

A Triangle Framework among Subgraph Isomorphism, Pharmacophore and Structure-function Relationship

inferred← citeshttps://doi.org/10.2174/156720507781077250openalex-snapshot

Screening for Inhibitors of Tau Protein Aggregation into Alzheimer Paired Helical Filaments: A Ligand Based Approach Results in Successful Scaffold Hopping

inferred← citeshttps://doi.org/10.2174/1573406416666191227120425openalex-snapshot

Prospects for Discovering the Secondary Metabolites of Cordyceps Sensu Lato by the Integrated Strategy

inferred← citeshttps://doi.org/10.3389/fphar.2022.833099openalex-snapshot

Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

inferred← citeshttps://doi.org/10.34040/ijcb.1.1.2012.20openalex-snapshot

APPLICATION OF SUPPORT VECTOR MACHINES IN VIRTUAL SCREENING

inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch008openalex-snapshot

Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates

inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch016openalex-snapshot

Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates

inferred← citeshttps://doi.org/10.4236/ijoc.2021.112007openalex-snapshot

Pharmacophore Based Virtual Screening for Identification of Novel CDK2 Inhibitors

inferred← citeshttps://doi.org/10.5497/wjp.v3.i4.162openalex-snapshot

Pharmacophore approaches in protein kinase inhibitors design

inferred← citeshttps://doi.org/10.6026/97320630008301openalex-snapshot

Lead identification and optimization of novel collagenase inhibitors; pharmacophore and structure based studies

inferred← citeshttps://doi.org/10.6026/97320630008498openalex-snapshot

An alphabetic code based atomic level molecular similarity search in databases

inferred← citeshttps://doi.org/10.82308/17726openalex-snapshot

From desktop to benchtop - Developing computational tools for organic and medicinal chemistry

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.