On the public citation graph

Correct Bond Order Assignment in a Molecular Framework Using Integer Linear Programming with Application to Molecules Where Only Non-Hydrogen Atom Coordinates Are Available

0 signed · 48 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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)1521-3773(19980420)37:7<981::aid-anie981>3.0.co;2-xopenalex-snapshot
C60 and C70 Compounds in the Pincerlike Jaws of Calix[6]arene
inferredcites →https://doi.org/10.1007/3-540-07546-1openalex-snapshot
Matrix Eigensystem Routines — EISPACK Guide
inferredcites →https://doi.org/10.1007/978-1-4612-5190-3openalex-snapshot
Principles of Nucleic Acid Structure
inferredcites →https://doi.org/10.1007/978-3-662-12211-2openalex-snapshot
Lancelot: A FORTRAN Package for Large-Scale Nonlinear Optimization (Release A)
inferredcites →https://doi.org/10.1016/s0960-894x(03)00643-7openalex-snapshot
Thymidine and thymidine-5′-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase
inferredcites →https://doi.org/10.1016/s0968-0004(00)89080-5openalex-snapshot
RASMOL: biomolecular graphics for all
inferredcites →https://doi.org/10.1021/ci00009a001openalex-snapshot
Automatic assignment of chemical connectivity to organic molecules in the Cambridge Structural Database
inferredcites →https://doi.org/10.1021/ci00025a026openalex-snapshot
Finding a Kekule Structure in a Benzenoid System in Linear Time
inferredcites →https://doi.org/10.1021/ci00067a017openalex-snapshot
Automated conformational analysis and structure generation: algorithms for molecular perception
inferredcites →https://doi.org/10.1021/ci049915dopenalex-snapshot
On the Perception of Molecules from 3D Atomic Coordinates
inferredcites →https://doi.org/10.1021/ci9603487openalex-snapshot
BALI: Automatic Assignment of Bond and Atom Types for Protein Ligands in the Brookhaven Protein Databank
inferredcites →https://doi.org/10.1021/cr00029a008openalex-snapshot
No d Orbitals but Walsh Diagrams and Maybe Banana Bonds: Chemical Bonding in Phosphines, Phosphine Oxides, and Phosphonium Ylides
inferredcites →https://doi.org/10.1021/ic00067a004openalex-snapshot
Rigorous interpretation of electronic wave functions. 2. Electronic structures of selected phosphorus, sulfur, and chlorine fluorides and oxides
inferredcites →https://doi.org/10.1021/ja00178a014openalex-snapshot
Hypercoordinate molecules of second-row elements: d functions or d orbitals?
inferredcites →https://doi.org/10.1021/ja00396a041openalex-snapshot
1,5-Dithia-2,4,6,8-tetrazocine: a novel heterocycle of unusual properties
inferredcites →https://doi.org/10.1021/ja00839a012openalex-snapshot
Molecular orbital theory of the electronic structure of organic compounds. XXIII. Pseudorotation in saturated five-membered ring compounds
inferredcites →https://doi.org/10.1021/ja980141popenalex-snapshot
Chemical Bonding in Hypervalent Molecules Revised. Application of the Atoms in Molecules Theory to Y 3 X and Y 3 XZ (Y = H or CH 3 ; X = N, P or As; Z = O or S) Compounds
inferredcites →https://doi.org/10.1021/jm034206xopenalex-snapshot
Discovery of Small-Molecule Inhibitors of the ATPase Activity of Human Papillomavirus E1 Helicase
inferredcites →https://doi.org/10.1039/b002635mopenalex-snapshot
Tetrapyrroles: the pigments of life
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1107/s0365110x59001748openalex-snapshot
To fit a plane or a line to a set of points by least squares
inferredcites →https://doi.org/10.1109/proc.1977.10823openalex-snapshot
Combinatorial algorithms
inferredcites →https://doi.org/10.1126/science.252.5003.312openalex-snapshot
Crystal Structure of Osmylated C 60 : Confirmation of the Soccer Ball Framework

What points at this work

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

inferred← citeshttps://doi.org/10.1002/jcc.24309openalex-snapshot
Automatic molecular structure perception for the universal force field
inferred← citeshttps://doi.org/10.1007/978-3-642-02882-3_30openalex-snapshot
Computing Bond Types in Molecule Graphs
inferred← citeshttps://doi.org/10.1016/j.comptc.2019.112508openalex-snapshot
The dataset of covalent bond lengths resulting from the first-principle calculations
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.07.002openalex-snapshot
Reaction analysis and visualization of ReaxFF molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.tcs.2010.12.063openalex-snapshot
Computing bond orders in molecule graphs
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00512openalex-snapshot
Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00069openalex-snapshot
UNICON: A Powerful and Easy-to-Use Compound Library Converter
inferred← citeshttps://doi.org/10.1021/ci300358copenalex-snapshot
Reading PDB: Perception of Molecules from 3D Atomic Coordinates
inferred← citeshttps://doi.org/10.1021/ci700028wopenalex-snapshot
Automatic Perception of Organic Molecules Based on Essential Structural Information
inferred← citeshttps://doi.org/10.1021/jp803813eopenalex-snapshot
Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures
inferred← citeshttps://doi.org/10.1039/d1cp01762dopenalex-snapshot
Energetics and optimal molecular packing for singlet fission in BN-doped perylenes: electronic adiabatic state basis screening
inferred← citeshttps://doi.org/10.1063/5.0016011openalex-snapshot
Bond order predictions using deep neural networks
inferred← citeshttps://doi.org/10.1088/2632-2153/adcd38openalex-snapshot
Integer linear programming for unsupervised training set selection in molecular machine learning
inferred← citeshttps://doi.org/10.1093/bioinformatics/btq718openalex-snapshot
Automated bond order assignment as an optimization problem
inferred← citeshttps://doi.org/10.1093/bioinformatics/btr055openalex-snapshot
fconv: format conversion, manipulation and feature computation of molecular data
inferred← citeshttps://doi.org/10.1107/s0108768111024608openalex-snapshot
Deducing chemical structure from crystallographically determined atomic coordinates
inferred← citeshttps://doi.org/10.1186/1758-2946-4-26openalex-snapshot
A rule-based algorithm for automatic bond type perception
inferred← citeshttps://doi.org/10.1186/s13321-019-0340-0openalex-snapshot
Automated simultaneous assignment of bond orders and formal charges
inferred← citeshttps://doi.org/10.1186/s13321-023-00780-2openalex-snapshot
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
inferred← citeshttps://doi.org/10.26434/chemrxiv.7403630.v2openalex-snapshot
Perception of Chemical Bonds via Machine Learning
inferred← citeshttps://doi.org/10.6084/m9.figshare.26656354openalex-snapshot
Additional file 1 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
inferred← citeshttps://doi.org/10.6084/m9.figshare.26656357openalex-snapshot
Additional file 2 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
inferred← citeshttps://doi.org/10.6084/m9.figshare.26656360openalex-snapshot
Additional file 3 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
inferred← citeshttps://doi.org/10.6084/m9.figshare.26656363openalex-snapshot
Additional file 4 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
inferred← citeshttps://doi.org/10.6084/m9.figshare.7813130openalex-snapshot
Additional file 1 of Automated simultaneous assignment of bond orders and formal charges
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.