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Over 20 Years of Reaction Access Systems from MDL: A Novel Reaction Substructure Search Algorithm
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1021/ci00007a013openalex-snapshot
Computer-aided molecular formula determination from mass, proton and carbon-13 NMR spectra
inferredcites →https://doi.org/10.3362/0262-8104.1998.034openalex-snapshot
Water - and more - for the barrios of Tegucigalpa
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527618279.ch12openalex-snapshot
Reaction Classification and Knowledge Acquisition
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High‐Throughput Chemistry
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.200304209openalex-snapshot
Over 20 Years of Reaction Acces Systems from MDL: A Novel Reaction Substructure Search Algorithm.
inferred← citeshttps://doi.org/10.1002/minf.201400052openalex-snapshot
A Short Review of Chemical Reaction Database Systems, Computer‐Aided Synthesis Design, Reaction Prediction and Synthetic Feasibility
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CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
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Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c01871openalex-snapshot
Enumeration Approach to Atom-to-Atom Mapping Accelerated by Ising Computing
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Automatic mapping of atoms across both simple and complex chemical reactions
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Integer linear programming for unsupervised training set selection in molecular machine learning
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SIMCOMP/SUBCOMP: chemical structure search servers for network analyses
inferred← citeshttps://doi.org/10.1126/sciadv.abe4166openalex-snapshot
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
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MUCHA: multiple chemical alignment algorithm to identify building block substructures of orphan secondary metabolites
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Chemoinformatics-based enumeration of chemical libraries: a tutorial
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Substructure and Maximal Common Substructure Searching
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A Web-Based Chemoinformatics System for Drug Discovery
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UDM (Unified Data Model) for chemical reactions – past, present and future
inferred← citeshttps://doi.org/10.21236/ada525358openalex-snapshot
Computer-Aided Synthesis Design of Energetic Compounds
inferred← citeshttps://doi.org/10.29085/9781856049986.010openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/data3020014openalex-snapshot
RetroTransformDB: A Dataset of Generic Transforms for Retrosynthetic Analysis
inferred← citeshttps://doi.org/10.4018/978-1-4666-3604-0.ch053openalex-snapshot
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inferred← citeshttps://doi.org/10.4018/978-1-61520-911-8.ch017openalex-snapshot
Chemoinformatics on Metabolic Pathways
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