On the public citation graph
Template CoMFA: The 3D-QSAR Grail?
0 signed · 43 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/s10822-008-9177-8openalex-snapshot
A ligand’s-eye view of protein binding
inferredcites →https://doi.org/10.1016/j.jmgm.2009.01.003openalex-snapshot
A comparison of ligand based virtual screening methods and application to corticotropin releasing factor 1 receptor
inferredcites →https://doi.org/10.1021/ci049961dopenalex-snapshot
Topomers: A Validated Protocol for Their Self-Consistent Generation
inferredcites →https://doi.org/10.1021/ci100270xopenalex-snapshot
Capturing Structure−Activity Relationships from Chemogenomic Spaces
inferredcites →https://doi.org/10.1021/ci8001556openalex-snapshot
Virtual Screening for R-Groups, including Predicted pIC50 Contributions, within Large Structural Databases, Using Topomer CoMFA
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/jm020194oopenalex-snapshot
Topomer CoMFA: A Design Methodology for Rapid Lead Optimization
inferredcites →https://doi.org/10.1021/jm049501bopenalex-snapshot
“Lead Hopping”. Validation of Topomer Similarity as a Superior Predictor of Similar Biological Activities
inferredcites →https://doi.org/10.1021/jm200272hopenalex-snapshot
Toluidinesulfonamide Hypoxia-Induced Factor 1 Inhibitors: Alleviating Drug–Drug Interactions through Use of PubChem Data and Comparative Molecular Field Analysis Guided Synthesis
inferredcites →https://doi.org/10.1021/jm960291fopenalex-snapshot
Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single “Topomeric” Conformers
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1007/s10593-025-03386-8openalex-snapshot
A computational exploration of the antioxidant potential of conjugated quinazolinone Schiff bases
inferred← citeshttps://doi.org/10.1007/s10822-014-9761-zopenalex-snapshot
Challenging the gold standard for 3D-QSAR: template CoMFA versus X-ray alignment
inferred← citeshttps://doi.org/10.1007/s11030-026-11606-2openalex-snapshot
Computational approaches for identifying quorum sensing inhibitors
inferred← citeshttps://doi.org/10.1007/s11224-022-01903-5openalex-snapshot
Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and MM-GBSA free energy
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12353-4openalex-snapshot
Lessons and Successes in the Use of Molecular Fields
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12659-9openalex-snapshot
Molecular Fields to Assess Recognition Forces and Property Spaces☆
inferred← citeshttps://doi.org/10.1016/b978-0-32-390257-1.00025-5openalex-snapshot
Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems
inferred← citeshttps://doi.org/10.1016/b978-0-443-15339-6.00029-1openalex-snapshot
Decision forest—a machine learning algorithm for QSAR modeling
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2023.107855openalex-snapshot
Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches
inferred← citeshttps://doi.org/10.1021/acs.jchemed.0c00117openalex-snapshot
Teaching and Learning Computational Drug Design: Student Investigations of 3D Quantitative Structure–Activity Relationships through Web Applications
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00768openalex-snapshot
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00290openalex-snapshot
Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00490openalex-snapshot
Modeling MEK4 Kinase Inhibitors through Perturbed Electrostatic Potential Charges
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01118openalex-snapshot
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c00520openalex-snapshot
Concurrent Optimizations of Efficacy and Blood–Brain Barrier Permeability in New Macrocyclic LRRK2 Inhibitors for Potential Parkinson’s Disease Therapeutics
inferred← citeshttps://doi.org/10.1021/acsomega.3c07208openalex-snapshot
Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine
inferred← citeshttps://doi.org/10.1021/acsomega.6c02710openalex-snapshot
Structure-Based Virtual Screening and De Novo Design Guided by 3D-QSAR Triage for the Identification of Nanomolar STK3 Inhibitors
inferred← citeshttps://doi.org/10.1021/ci500230aopenalex-snapshot
Template CoMFA Applied to 116 Biological Targets
inferred← citeshttps://doi.org/10.1039/9781782623731-00120openalex-snapshot
Chemical Similarity, Shape Matching and QSAR
inferred← citeshttps://doi.org/10.1080/1062936x.2017.1302991openalex-snapshot
Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches
inferred← citeshttps://doi.org/10.1080/1062936x.2021.1999317openalex-snapshot
Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches
inferred← citeshttps://doi.org/10.1186/s13321-021-00525-zopenalex-snapshot
Nonadditivity in public and inhouse data: implications for drug design
inferred← citeshttps://doi.org/10.1371/journal.pone.0129307openalex-snapshot
Template CoMFA Generates Single 3D-QSAR Models that, for Twelve of Twelve Biological Targets, Predict All ChEMBL-Tabulated Affinities
inferred← citeshttps://doi.org/10.1371/journal.pone.0189213openalex-snapshot
Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1233496/v1openalex-snapshot
Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, Molecular docking, Molecular dynamics simulations and MM-GBSA free energy
inferred← citeshttps://doi.org/10.21203/rs.3.rs-127217/v1openalex-snapshot
Nonadditivity in Public and Inhouse Data – Implications for Drug Design
inferred← citeshttps://doi.org/10.3390/ijms222010995openalex-snapshot
Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood–Brain Barrier Passage
inferred← citeshttps://doi.org/10.3390/ph16111509openalex-snapshot
Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm
inferred← citeshttps://doi.org/10.5772/intechopen.89113openalex-snapshot
Molecular Electrostatic Potential and Chemometric Techniques as Tools to Design Bioactive Compounds
inferred← citeshttps://doi.org/10.6084/m9.figshare.14904123openalex-snapshot
Additional file 1 of Nonadditivity in public and inhouse data: implications for drug design
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.