On the public citation graph

Using Molecular Docking, 3D-QSAR, and Cluster Analysis for Screening Structurally Diverse Data Sets of Pharmacological Interest

https://doi.org/10.1021/ci8001952

0 signed · 52 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1007/978-1-4757-3273-3_13openalex-snapshot

Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies

inferredcites →https://doi.org/10.1016/0898-5529(89)90004-3openalex-snapshot

Principal components analysis and partial least squares regression

inferredcites →https://doi.org/10.1021/bi00162a004openalex-snapshot

Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors

inferredcites →https://doi.org/10.1021/ci00020a020openalex-snapshot

Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships

inferredcites →https://doi.org/10.1021/ci010108dopenalex-snapshot

Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis

inferredcites →https://doi.org/10.1021/ci034143ropenalex-snapshot

Spline-Fitting with a Genetic Algorithm: A Method for Developing Classification Structure−Activity Relationships

inferredcites →https://doi.org/10.1021/ci0498158openalex-snapshot

‘Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand

inferredcites →https://doi.org/10.1021/ci050480jopenalex-snapshot

Can ‘Bacterial-Metabolite-Likeness' Model Improve Odds of ‘in Silico' Antibiotic Discovery?

inferredcites →https://doi.org/10.1021/ci0601517openalex-snapshot

Comparative QSAR- and Fragments Distribution Analysis of Drugs, Druglikes, Metabolic Substances, and Antimicrobial Compounds

inferredcites →https://doi.org/10.1021/ci970006gopenalex-snapshot

Prediction of Ligand−Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors

inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot

Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

inferredcites →https://doi.org/10.1021/jm000200lopenalex-snapshot

Design, Synthesis, and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent

inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot

Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

inferredcites →https://doi.org/10.1021/jm000940uopenalex-snapshot

Crystal Structures of Human Factor Xa Complexed with Potent Inhibitors

inferredcites →https://doi.org/10.1021/jm020808popenalex-snapshot

DrugScore Meets CoMFA: Adaptation of Fields for Molecular Comparison (AFMoC) or How to Tailor Knowledge-Based Pair-Potentials to a Particular Protein

inferredcites →https://doi.org/10.1021/jm049087fopenalex-snapshot

Successful in Silico Discovery of Novel Nonsteroidal Ligands for Human Sex Hormone Binding Globulin

inferredcites →https://doi.org/10.1021/jm049687eopenalex-snapshot

Raptor: Combining Dual-Shell Representation, Induced-Fit Simulation, and Hydrophobicity Scoring in Receptor Modeling: Application toward the Simulation of Structurally Diverse Ligand Sets

inferredcites →https://doi.org/10.1021/jm050185qopenalex-snapshot

Combining Protein Modeling and 6D-QSAR. Simulating the Binding of Structurally Diverse Ligands to the Estrogen Receptor

inferredcites →https://doi.org/10.1021/jm060961+openalex-snapshot

Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening

inferredcites →https://doi.org/10.1021/jm980694aopenalex-snapshot

Synthesis, Pharmacological and Biophysical Characterization, and Membrane-Interaction QSAR Analysis of Cationic Amphiphilic Model Compounds

inferredcites →https://doi.org/10.1021/jm9810607openalex-snapshot

Self-Organizing Molecular Field Analysis: A Tool for Structure−Activity Studies

inferredcites →https://doi.org/10.1021/jm990275topenalex-snapshot

Crystallographic Analysis of the Binding Modes of Thiazoloisoindolinone Non-Nucleoside Inhibitors to HIV-1 Reverse Transcriptase and Comparison with Modeling Studies

inferredcites →https://doi.org/10.1038/nature05003openalex-snapshot

Antiviral drugs fit for a purpose

inferredcites →https://doi.org/10.1038/nsmb711openalex-snapshot

Identification of small molecule inhibitors of anthrax lethal factor

inferredcites →https://doi.org/10.1070/rc1996v065n08abeh000227openalex-snapshot

The problem of the quantitative evaluation of the inductive effect: correlation analysis

inferredcites →https://doi.org/10.1093/bioinformatics/btl259openalex-snapshot

Distance based algorithms for small biomolecule classification and structural similarity search

inferredcites →https://doi.org/10.1093/emboj/19.4.504openalex-snapshot

Crystal structure of human sex hormone‐binding globulin: steroid transport by a laminin G‐like domain

inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot

The Protein Data Bank

inferredcites →https://doi.org/10.1109/hicss.1995.375331openalex-snapshot

Measuring proteins and voids in proteins

inferredcites →https://doi.org/10.1109/t-c.1973.223640openalex-snapshot

Clustering Using a Similarity Measure Based on Shared Near Neighbors

inferredcites →https://doi.org/10.1385/1-59259-802-1:131openalex-snapshot

Methods for Applying the Quantitative Structure-Activity Relationship Paradigm

inferredcites →https://doi.org/10.2174/1573409052952288openalex-snapshot

Inductive Descriptors: 10 Successful Years in QSAR

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.bmc001.pub2openalex-snapshot

History of Quantitative Structure–Activity Relationships

inferred← citeshttps://doi.org/10.1002/chin.200904220openalex-snapshot

ChemInform Abstract: Using Molecular Docking, 3D‐QSAR, and Cluster Analysis for Screening Structurally Diverse Data Sets of Pharmacological Interest.

inferred← citeshttps://doi.org/10.1002/fft2.78openalex-snapshot

Interpretable machine learning methods for in vitro pharmaceutical formulation development

inferred← citeshttps://doi.org/10.1002/jat.3497openalex-snapshot

Endocrine disruption: In silico interactions between phthalate plasticizers and corticosteroid binding globulin

inferred← citeshttps://doi.org/10.1002/jcc.21571openalex-snapshot

Structure‐based quantitative structure‐activity relationship studies of checkpoint kinase 1 inhibitors

inferred← citeshttps://doi.org/10.1002/minf.201000099openalex-snapshot

ISIDA Property‐Labelled Fragment Descriptors

inferred← citeshttps://doi.org/10.1007/s00044-016-1666-zopenalex-snapshot

Quantitative structure–activity relationships of dihydrofolatereductase inhibitors

inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.136107openalex-snapshot

Novel anthraquinone photosensitizers: Synthesis, photoactivity, and 3D-QSAR studies

inferred← citeshttps://doi.org/10.1021/ci300146hopenalex-snapshot

GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design

inferred← citeshttps://doi.org/10.1021/jm200979xopenalex-snapshot

Identification of Binding Specificity-Determining Features in Protein Families

inferred← citeshttps://doi.org/10.1021/jm201098nopenalex-snapshot

Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor through Virtual Screening.

inferred← citeshttps://doi.org/10.11606/d.76.2022.tde-30082022-100631openalex-snapshot

Estratégias em modelagem molecular para a identificação de novos candidatos à fármacos para a leishmaniose

inferred← citeshttps://doi.org/10.1186/s13321-016-0114-xopenalex-snapshot

How frequently do clusters occur in hierarchical clustering analysis? A graph theoretical approach to studying ties in proximity

inferred← citeshttps://doi.org/10.2174/138161211795428966openalex-snapshot

A Review of Molecular Modelling Studies of Dihydrofolate Reductase Inhibitors Against Opportunistic Microorganisms and Comprehensive Evaluation of New Models

inferred← citeshttps://doi.org/10.2174/157340911798260287openalex-snapshot

Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5

inferred← citeshttps://doi.org/10.3390/ijms23168898openalex-snapshot

Hierarchical Clustering and Target-Independent QSAR for Antileishmanial Oxazole and Oxadiazole Derivatives

inferred← citeshttps://doi.org/10.4018/978-1-5225-0362-0.ch002openalex-snapshot

Application of Docking Methodologies in QSAR-Based Studies

inferred← citeshttps://doi.org/10.4018/978-1-5225-1762-7.ch033openalex-snapshot

Application of Docking Methodologies in QSAR-Based Studies

inferred← citeshttps://doi.org/10.70675/50158fa9z2b5fz48cfzb16cz4f95b63cb87fopenalex-snapshot

Property-enriched fragment descriptors for adaptive QSAR

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.