On the public citation graph
An Analytical, Variable Resolution, Complete Description of Static Molecules and Their Intermolecular Binding Properties
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known work and none has been retracted — and get a dated CiteStamped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/10.1002/(sici)1096-987x(199903)20:4<383::aid-jcc1>3.0.co;2-mopenalex-snapshot
Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces
inferredcites →https://doi.org/10.1002/(sici)1097-0282(199603)38:3<305::aid-bip4>3.0.co;2-yopenalex-snapshot
Reduced surface: An efficient way to compute molecular surfaces
inferredcites →https://doi.org/10.1002/(sici)1097-461x(1999)75:1<17::aid-qua3>3.0.co;2-ropenalex-snapshot
Accurate parametrized variational calculations of the molecular electronic polarizability by NDDO-based methods
inferredcites →https://doi.org/10.1002/(sici)1097-461x(2000)77:1<473::aid-qua47>3.0.co;2-4openalex-snapshot
Additive NDDO-based atomic polarizability model
inferredcites →https://doi.org/10.1002/bip.360330204openalex-snapshot
Approximation and characterization of molecular surfaces
inferredcites →https://doi.org/10.1002/jcc.540100608openalex-snapshot
Analytical energy derivatives and normal modes in force fields employing lone‐pair pseudoatoms
inferredcites →https://doi.org/10.1007/bf00527479openalex-snapshot
Calcul th�orique des polarisabilit�s �lectroniques mol�culaires. Comparaison des diff�rentes m�thodes
inferredcites →https://doi.org/10.1007/s00894-003-0153-xopenalex-snapshot
Local molecular properties and their use in predicting reactivity
inferredcites →https://doi.org/10.1007/s008940050014openalex-snapshot
A Detailed Study of VESPA Electrostatic Potential-Derived Atomic Charges
inferredcites →https://doi.org/10.1016/s0166-1280(96)90925-2openalex-snapshot
Atoms in Molecules — a Quantum Theory
inferredcites →https://doi.org/10.1016/s0166-1280(97)00162-0openalex-snapshot
Statistical analysis of the molecular surface electrostatic potential: an approach to describing noncovalent interactions in condensed phases
inferredcites →https://doi.org/10.1021/ja00209a010openalex-snapshot
Manganese(I)-induced 1,6-demethanation across the carbon-carbon triple bond of linear alkynes in the gas phase. A case for the generation of manganese cycloalkynes?
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/jm001055eopenalex-snapshot
Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine (L-745,870), and Clozapine
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1093/acprof:oso/9780199672394.001.0001openalex-snapshot
The Theory of Intermolecular Forces
inferredcites →https://doi.org/10.1109/38.7761openalex-snapshot
Visualizing color gamuts: a user interface for the effective use of perceptual color spaces in data displays
inferredcites →https://doi.org/10.1139/v90-220openalex-snapshot
Average local ionization energies on the molecular surfaces of aromatic systems as guides to chemical reactivity
inferredcites →https://doi.org/10.2174/1568026023392940openalex-snapshot
History and Evolution of the Pharmacophore Concept in Computer-Aided Drug Design
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527665143.ch12openalex-snapshot
Spherical Harmonic Molecular Surfaces (ParaSurf and ParaFit)
inferred← citeshttps://doi.org/10.1002/minf.201000149openalex-snapshot
Using Spherical Harmonic Surface Property Representations for Ligand‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot
Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1007/s00894-007-0251-2openalex-snapshot
Pattern recognition based on color-coded quantum mechanical surfaces for molecular alignment
inferred← citeshttps://doi.org/10.1007/s00894-014-2478-zopenalex-snapshot
A consistent force field parameter set for zwitterionic amino acid residues
inferred← citeshttps://doi.org/10.1007/s10822-005-9019-xopenalex-snapshot
Molecular shape and electrostatics in the encoding of relevant chemical information
inferred← citeshttps://doi.org/10.1007/s10822-024-00581-1openalex-snapshot
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
inferred← citeshttps://doi.org/10.1016/j.dyepig.2014.10.026openalex-snapshot
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2016.11.156openalex-snapshot
Quantitative structure-property relationships for predicting sorption of pharmaceuticals to sewage sludge during waste water treatment processes
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.09.006openalex-snapshot
Tools for in silico target fishing
inferred← citeshttps://doi.org/10.1021/ci100263popenalex-snapshot
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
inferred← citeshttps://doi.org/10.1021/ci100492ropenalex-snapshot
Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci3000979openalex-snapshot
Detecting Drug Promiscuity Using Gaussian Ensemble Screening
inferred← citeshttps://doi.org/10.1021/ci400037yopenalex-snapshot
Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance
inferred← citeshttps://doi.org/10.1021/ci4006723openalex-snapshot
GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning
inferred← citeshttps://doi.org/10.1021/ci800257xopenalex-snapshot
Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket
inferred← citeshttps://doi.org/10.1021/ci800468qopenalex-snapshot
Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening
inferred← citeshttps://doi.org/10.1186/1758-2946-3-s1-o19openalex-snapshot
Predicting drug polypharmacology using a novel surface property similarity-based approach
inferred← citeshttps://doi.org/10.1371/journal.pone.0021554openalex-snapshot
Spherical Harmonics Coefficients for Ligand-Based Virtual Screening of Cyclooxygenase Inhibitors
inferred← citeshttps://doi.org/10.1517/17460441.2011.632406openalex-snapshot
Identifying and characterizing promiscuous targets: Implications for virtual screening
inferred← citeshttps://doi.org/10.2174/15680266113139990028openalex-snapshot
Recent Trends and Future Prospects in Computational GPCR Drug Discovery: From Virtual Screening to Polypharmacology
inferred← citeshttps://doi.org/10.2174/2210289201102010113openalex-snapshot
Predicting Drug Promiscuity Using Spherical Harmonic Surface Shape-Based Similarity Comparisons
inferred← citeshttps://doi.org/10.3389/fchem.2018.00315openalex-snapshot
Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
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.