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Overcoming the Limitations of a Connection Table Description: A Universal Representation of Chemical Species

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.540150802openalex-snapshot
Hash codes for the identification and classification of molecular structure elements
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A collection of computer methods for synthesis design and reaction prediction
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Software-Entwicklung in der Chemie 1
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Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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Computer-aided molecular formula determination from mass, proton and carbon-13 NMR spectra
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New Perspectives in Computer-Assisted Formal Synthesis Design-Treatment of Delocalized Electrons
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Yet Another Representation of Molecular Structure
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The Chemical Abstracts Service Chemical Registry System. VII. Tautomerism and Alternating Bonds
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The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
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Electronic ground states of manganocene and 1,1'-dimethylmanganocene
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Synthesis employing oxidative insertion of palladium atoms into aryl, alkyl, and acyl carbon-halogen bonds. Properties of and phosphine trapping of the nonligand stabilizer RPdX and PCOPdX intermediates
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Automatische Erzeugung pericyclischer Reaktionen/Automatic Generation of Pericyclic Reactions

What points at this work

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

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Structure Representation
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A Combined Application of Reaction Prediction and Infrared Spectra Simulation for the Identification of Degradation Products of s ‐Triazine Herbicides
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Bibliography
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Representation of Molecular Structures‐Overview
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Principles of Molecular Representations
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Adventures in Chemistry and in Information Technology: Using Chemistry Skill to Finance Partnership with Computers
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The Influence of Structure Representation on QSAR Modelling
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Data Management and Processing in Toxicoinformatics: From Chemical Databases to Automatic Extraction of Unstructured Resources
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Literatur
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Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign
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Comparison of spectrum-like representation of 3D chemical structure with other representations when used for modelling biological activity
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Prediction and Structure–Activity Relationship Analysis on Ready Biodegradability of Chemical Using Machine Learning Method
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The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
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Automated Design of Realistic Organometallic Molecules from Fragments
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Automated Building of Organometallic Complexes from 3D Fragments
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Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics
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Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model To Automate Structure-Based Physical Property Estimation
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SMILES Extensions for Pattern Matching and Molecular Transformations: Applications in Chemoinformatics
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Simulation of Organic Reactions: From the Degradation of Chemicals to Combinatorial Synthesis
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Molecular Chemometrics
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The Use of Hasse Diagrams as a Potential Approach for Inverse QSAR
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Some solved and unsolved problems of chemoinformatics
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Computational Methods in Drug Discovery
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The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS
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A possible extension to the RInChI as a means of providing machine readable process data
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Quantitative structure–activity relationship: promising advances in drug discovery platforms
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Information Extraction in the Life Sciences: Perspectives for Medicinal Chemistry, Pharmacology and Toxicology
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Modern chemistry in the CDK: beyond the two-atom bond
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Modern chemistry in the CDK: beyond the two-atom bond
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Towards the Simulation of Reaction Networks in Astrochemistry
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