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HORACE: An automatic system for the hierarchical classification of chemical reactions
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0470845015.caa011mopenalex-snapshot
Artificial Intelligence in Chemistry
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Machine Learning Techniques in Chemistry
inferred← citeshttps://doi.org/10.1002/3527601643.ch3openalex-snapshot
Representation of Chemical Reactions
inferred← citeshttps://doi.org/10.1002/9780470125847.ch1openalex-snapshot
Similarity Searching in Databases of Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527618279.ch12openalex-snapshot
Reaction Classification and Knowledge Acquisition
inferred← citeshttps://doi.org/10.1002/9783527618279.ch39bopenalex-snapshot
Machine Learning Techniques in Chemistry
inferred← citeshttps://doi.org/10.1002/9783527816880.ch4openalex-snapshot
Representation of Chemical Reactions
inferred← citeshttps://doi.org/10.1002/ange.19951072304openalex-snapshot
Computergestützte Planung organisch‐chemischer Synthesen: die zweite Programmgeneration
inferred← citeshttps://doi.org/10.1002/ange.200503833openalex-snapshot
Genome‐Scale Classification of Metabolic Reactions: A Chemoinformatics Approach
inferred← citeshttps://doi.org/10.1002/anie.199526131openalex-snapshot
Computer‐Assisted Planning of Organic Syntheses: The Second Generation of Programs
inferred← citeshttps://doi.org/10.1002/anie.200503833openalex-snapshot
Genome‐Scale Classification of Metabolic Reactions: A Chemoinformatics Approach
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
inferred← citeshttps://doi.org/10.1007/0-306-46883-2_14openalex-snapshot
Computer-assisted synthesis and reaction planning in combinatorial chemistry
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_13openalex-snapshot
Classification of Chemical Reactions and Chemoinformatic Processing of Enzymatic Transformations
inferred← citeshttps://doi.org/10.1007/978-3-540-88411-8_21openalex-snapshot
Mining Intervals of Graphs to Extract Characteristic Reaction Patterns
inferred← citeshttps://doi.org/10.1007/s12293-024-00414-6openalex-snapshot
Molecular representations in bio-cheminformatics
inferred← citeshttps://doi.org/10.1016/j.aej.2017.07.005openalex-snapshot
Numerical exploration of a non-Newtonian Carreau fluid flow driven by catalytic surface reactions on an upper horizontal surface of a paraboloid of revolution, buoyancy and stretching at the free stream
inferred← citeshttps://doi.org/10.1016/s0040-4020(97)00095-1openalex-snapshot
Organic synthesis planning: Some hints from similarity
inferred← citeshttps://doi.org/10.1016/s0040-4020(97)00911-3openalex-snapshot
Classification of organic reactions using similarity
inferred← citeshttps://doi.org/10.1021/bk-2014-1164.ch006openalex-snapshot
The History of Chemical Reactions Information, Past, Present and Future
inferred← citeshttps://doi.org/10.1021/ci400442fopenalex-snapshot
Algorithm for Reaction Classification
inferred← citeshttps://doi.org/10.1021/ci900104bopenalex-snapshot
Assignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests
inferred← citeshttps://doi.org/10.1021/ci9004833openalex-snapshot
Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods
inferred← citeshttps://doi.org/10.1023/a:1008745509593openalex-snapshot
Computer-assisted synthesis and reaction planning in combinatorial chemistry
inferred← citeshttps://doi.org/10.1038/nature25978openalex-snapshot
Planning chemical syntheses with deep neural networks and symbolic AI
inferred← citeshttps://doi.org/10.1093/bib/bbab391openalex-snapshot
Deep learning in retrosynthesis planning: datasets, models and tools
inferred← citeshttps://doi.org/10.1093/bioinformatics/btn405openalex-snapshot
Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps
inferred← citeshttps://doi.org/10.1145/191246.191315openalex-snapshot
Hierarchical classification as an aid to database and hit-list browsing
inferred← citeshttps://doi.org/10.1186/s12859-018-2248-5openalex-snapshot
SimCAL: a flexible tool to compute biochemical reaction similarity
inferred← citeshttps://doi.org/10.1186/s13321-020-00460-5openalex-snapshot
Molecular representations in AI-driven drug discovery: a review and practical guide
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