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Models for the representation of knowledge about chemical reactions

https://doi.org/10.1021/ci00068a019
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What this work says

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

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

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Synthesis Design
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The Data
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Computergestützte Planung organisch‐chemischer Synthesen: die zweite Programmgeneration
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Neural Networks in Chemistry
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Computer‐Assisted Planning of Organic Syntheses: The Second Generation of Programs
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Genome‐Scale Classification of Metabolic Reactions: A Chemoinformatics Approach
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ChemInform Abstract: Models for the Representation of Knowledge About Chemical Reactions
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Construction of a Statistical Evaluation Model Based on Molecular Centrality to Find Retrosynthetically Important Bonds in Organic Compounds
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Chemistry, Computers, and the Mind
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Reaction prediction by the beppe program. The Diels—Alder cycloaddition
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Models for the representation of knowledge about chemical reactions
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Computational study on the interaction of a ring-hydroxylating dioxygenase from Sphingomonas CHY-1 with PAHs
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Engineered enzyme interactions with polycyclic aromatic hydrocarbons: A theoretical approach
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In-silico bonding schemes to encode chemical bonds involving sharing of electrons in molecular structures
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Classification of organic reactions using similarity
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A New Approach of Evaluating Bond Dissociation Energy from Eigenvalue of Bonding Orbital-Connection Matrix for C−C and C−H Bonds in Alkane
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Use of Structure Descriptors To Discriminate between Modes of Toxic Action of Phenols
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Identification and Selection of “Privileged Fragments” Suitable for Primary Screening
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Reaction Databases and Synthesis PlanningCombined Application and Synergetic Effects
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RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
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