On the public citation graph

Chemometric Analysis of Ligand Receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI)

https://doi.org/10.1021/ci050065r
0 signed · 92 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/(sici)1096-987x(199906)20:8<749::aid-jcc1>3.0.co;2-iopenalex-snapshot
Generalized linear response method: Application to hydration free energy calculations
inferredcites →https://doi.org/10.1002/(sici)1099-1352(199601)9:1<1::aid-jmr241>3.0.co;2-6openalex-snapshot
Automated docking of flexible ligands: Applications of autodock
inferredcites →https://doi.org/10.1002/(sici)1099-1352(199603)9:2<175::aid-jmr260>3.0.co;2-dopenalex-snapshot
Molecular docking towards drug discovery
inferredcites →https://doi.org/10.1002/0471224413.ch1openalex-snapshot
Small Molecule Docking and Scoring
inferredcites →https://doi.org/10.1002/0471266949openalex-snapshot
Burger's Medicinal Chemistry and Drug Discovery
inferredcites →https://doi.org/10.1002/0471266949.bmc002openalex-snapshot
Recent Trends in Quantitative Structure‐Activity Relationships
inferredcites →https://doi.org/10.1002/9780470125922openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/jps.2600641214openalex-snapshot
Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
inferredcites →https://doi.org/10.1002/jps.2600641215openalex-snapshot
Molecular Connectivity II: Relationship to Water Solubility and Boiling Point
inferredcites →https://doi.org/10.1002/jps.2600641216openalex-snapshot
Molecular Connectivity III: Relationship to Partition Coefficients
inferredcites →https://doi.org/10.1002/jps.2600641217openalex-snapshot
Size Distribution Effects in Multiparticulate Dissolution
inferredcites →https://doi.org/10.1002/jps.2600650824openalex-snapshot
Molecular Connectivity V: Connectivity Series Concept Applied to Density
inferredcites →https://doi.org/10.1002/jps.2600650825openalex-snapshot
Spectrofluorometric Determination of Bufuralol in Blood and Urine
inferredcites →https://doi.org/10.1002/jps.2600651228openalex-snapshot
Molecular Connectivity VII: Specific Treatment of Heteroatoms
inferredcites →https://doi.org/10.1002/prot.10028openalex-snapshot
Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock
inferredcites →https://doi.org/10.1002/qsar.200390007openalex-snapshot
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
inferredcites →https://doi.org/10.1007/978-1-4757-2440-0openalex-snapshot
The Nature of Statistical Learning Theory
inferredcites →https://doi.org/10.1007/bf00124402openalex-snapshot
Flexible ligand docking using a genetic algorithm
inferredcites →https://doi.org/10.1016/0097-8485(94)00052-gopenalex-snapshot
Electron density modeling of large systems using the transferable atom equivalent method
inferredcites →https://doi.org/10.1016/0097-8485(94)85003-8openalex-snapshot
Cluster analysis by simulated annealing
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1016/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
inferredcites →https://doi.org/10.1021/ac010797sopenalex-snapshot
Prediction of Protein Retention in Ion-Exchange Systems Using Molecular Descriptors Obtained from Crystal Structure
inferredcites →https://doi.org/10.1021/ar00041a001openalex-snapshot
Structure-Based Molecular Design
inferredcites →https://doi.org/10.1021/ar010014popenalex-snapshot
Ligand Binding Affinities from MD Simulations
inferredcites →https://doi.org/10.1021/ci025580topenalex-snapshot
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression
inferredcites →https://doi.org/10.1021/ci960373copenalex-snapshot
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
inferredcites →https://doi.org/10.1021/ci980033mopenalex-snapshot
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k -Nearest-Neighbor Principle
inferredcites →https://doi.org/10.1021/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
inferredcites →https://doi.org/10.1021/cr00023a004openalex-snapshot
Free energy calculations: Applications to chemical and biochemical phenomena
inferredcites →https://doi.org/10.1021/jm00227a002openalex-snapshot
Molecular connectivity. 6. Examination of the parabolic relationship between molecular connectivity and biological activity
inferredcites →https://doi.org/10.1021/jm00227a003openalex-snapshot
Quantitative structure-activity relationships. 1. The modified Free-Wilson approach
inferredcites →https://doi.org/10.1021/jm00246a025openalex-snapshot
Molecular connectivity. 4. Relations to biological activities
inferredcites →https://doi.org/10.1021/jm030580lopenalex-snapshot
The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
inferredcites →https://doi.org/10.1021/jm030584qopenalex-snapshot
Application of Predictive QSAR Models to Database Mining: Identification and Experimental Validation of Novel Anticonvulsant Compounds
inferredcites →https://doi.org/10.1021/jp011480zopenalex-snapshot
New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model
inferredcites →https://doi.org/10.1021/jp011698lopenalex-snapshot
Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study
inferredcites →https://doi.org/10.1023/a:1008180020974openalex-snapshot
Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA_GA)
inferredcites →https://doi.org/10.1023/a:1020869118689openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferredcites →https://doi.org/10.1023/a:1021372108686openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferredcites →https://doi.org/10.1023/a:1025386326946openalex-snapshot
Rational selection of training and test sets for the development of validated QSAR models
inferredcites →https://doi.org/10.1063/1.1699114openalex-snapshot
Equation of State Calculations by Fast Computing Machines
inferredcites →https://doi.org/10.1093/protein/6.7.723openalex-snapshot
Matching chemistry and shape in molecular docking
inferredcites →https://doi.org/10.1093/protein/7.3.385openalex-snapshot
A new method for predicting binding affinity in computer-aided drug design
inferredcites →https://doi.org/10.2174/1381612013397843openalex-snapshot
3-D Pharmacophores in Drug Discovery

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9780470048672.wecb072openalex-snapshot
Chemical Libraries: Screening for Biologically Active Small Molecules
inferred← citeshttps://doi.org/10.1002/9781118131411.ch5openalex-snapshot
Molecular Descriptors for Biological Systems
inferred← citeshttps://doi.org/10.1002/9781119564782.ch12openalex-snapshot
Virtual Screening and Bioactivity Modeling for G Protein‐Coupled Receptors
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/minf.201000100openalex-snapshot
Chemoinformatics as a Theoretical Chemistry Discipline
inferred← citeshttps://doi.org/10.1002/minf.201300165openalex-snapshot
The Development of Novel Chemical Fragment‐Based Descriptors Using Frequent Common Subgraph Mining Approach and Their Application in QSAR Modeling
inferred← citeshttps://doi.org/10.1002/prot.22094openalex-snapshot
HIV‐1 protease function and structure studies with the simplicial neighborhood analysis of protein packing method
inferred← citeshttps://doi.org/10.1002/prot.24035openalex-snapshot
Do crystal structures obviate the need for theoretical models of GPCRs for structure‐based virtual screening?
inferred← citeshttps://doi.org/10.1002/sam.10046openalex-snapshot
Chemogenomics: Looking at biology through the lens of chemistry
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_135openalex-snapshot
Drug Design with Machine Learning
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_422openalex-snapshot
QSAR Modeling and QSAR Based Virtual Screening, Complexity and Challenges of Modern
inferred← citeshttps://doi.org/10.1007/978-1-61779-012-6_2openalex-snapshot
Computer-Aided Drug Discovery and Development
inferred← citeshttps://doi.org/10.1007/978-1-61779-334-9_19openalex-snapshot
In Silico-Screening Approaches for Lead Generation: Identification of Novel Allosteric Modulators of Human-Erythrocyte Pyruvate Kinase
inferred← citeshttps://doi.org/10.1007/978-1-61779-965-5_9openalex-snapshot
Predictive Cheminformatics in Drug Discovery: Statistical Modeling for Analysis of Micro-array and Gene Expression Data
inferred← citeshttps://doi.org/10.1007/s10822-006-9066-yopenalex-snapshot
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-007-9102-6openalex-snapshot
Antitumor Agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents
inferred← citeshttps://doi.org/10.1007/s11095-007-9285-5openalex-snapshot
A Cheminformatic Toolkit for Mining Biomedical Knowledge
inferred← citeshttps://doi.org/10.1016/b978-0-323-99137-7.00004-6openalex-snapshot
Pharmacophore modeling
inferred← citeshttps://doi.org/10.1016/bs.apha.2025.01.010openalex-snapshot
Pharmacophore modeling in drug design
inferred← citeshttps://doi.org/10.1016/j.bcp.2009.05.019openalex-snapshot
Inhibition of ATP synthase by chlorinated adenosine analogue
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.08.022openalex-snapshot
Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain
inferred← citeshttps://doi.org/10.1016/j.cbpa.2008.01.044openalex-snapshot
Computational analysis of ligand relationships within target families
inferred← citeshttps://doi.org/10.1016/j.clinthera.2013.08.005openalex-snapshot
Discovery of Novel Drugs for Promising Targets
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.140174openalex-snapshot
Preferred conformations of osmium cluster in terms of electron density
inferred← citeshttps://doi.org/10.1016/j.tips.2008.12.001openalex-snapshot
The importance of discerning shape in molecular pharmacology
inferred← citeshttps://doi.org/10.1021/ci060132xopenalex-snapshot
A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models
inferred← citeshttps://doi.org/10.1021/ci6002043openalex-snapshot
Parallel Screening: A Novel Concept in Pharmacophore Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci600392ropenalex-snapshot
eHiTS-to-VMD Interface Application. The Search for Tyrosine−tRNA Ligase Inhibitors
inferred← citeshttps://doi.org/10.1021/ci800143nopenalex-snapshot
Global Bayesian Models for the Prioritization of Antitubercular Agents
inferred← citeshttps://doi.org/10.1021/jm0606589openalex-snapshot
In Silico-Guided Target Identification of a Scaffold-Focused Library: 1,3,5-Triazepan-2,6-diones as Novel Phospholipase A2 Inhibitors
inferred← citeshttps://doi.org/10.1021/jo2005457openalex-snapshot
A Systematic Investigation of Quaternary Ammonium Ions as Asymmetric Phase-Transfer Catalysts. Application of Quantitative Structure Activity/Selectivity Relationships
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707307openalex-snapshot
Chemogenomic approaches to rational drug design
inferred← citeshttps://doi.org/10.1039/9781847558879-00295openalex-snapshot
Integrated Chemo- and Bioinformatics Approaches to Virtual Screening
inferred← citeshttps://doi.org/10.1109/iembs.2009.5335053openalex-snapshot
Mapping drug-target interaction networks
inferred← citeshttps://doi.org/10.1142/s0219633617500389openalex-snapshot
Quantitative structure–activity relationships study of potent pyridinone scaffold derivatives as HIV-1 integrase inhibitors with therapeutic applications
inferred← citeshttps://doi.org/10.1214/11-aoas472openalex-snapshot
Local kernel canonical correlation analysis with application to virtual drug screening
inferred← citeshttps://doi.org/10.1371/journal.pone.0162642openalex-snapshot
Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPARγ partial agonists
inferred← citeshttps://doi.org/10.17615/yxzr-7847openalex-snapshot
The analysis and advanced extensions of canonical correlation analysis
inferred← citeshttps://doi.org/10.2174/1568026619666190520083655openalex-snapshot
Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors
inferred← citeshttps://doi.org/10.3390/molecules26133960openalex-snapshot
Electron Density Analysis of SARS-CoV-2 RNA-Dependent RNA Polymerase Complexes
inferred← citeshttps://doi.org/10.35652/igjps.2022.12006openalex-snapshot
A Review on Computational Software Tools for Drug Design and Discovery
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch015openalex-snapshot
Online Molecular Docking Resources
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch037openalex-snapshot
Online Molecular Docking Resources
inferred← citeshttps://doi.org/10.4018/978-1-60960-818-7.ch517openalex-snapshot
Application of Machine Leaning in Drug Discovery and Development
inferred← citeshttps://doi.org/10.4018/978-1-61520-911-8.ch012openalex-snapshot
Application of Machine Leaning in Drug Discovery and Development
inferred← citeshttps://doi.org/10.48550/arxiv.0709.3931openalex-snapshot
Kernel methods for in silico chemogenomics
inferred← citeshttps://doi.org/10.5935/1984-6835.20120055openalex-snapshot
Virtual Screening Strategies in 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.