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Searching for Substructures in Fragment Spaces
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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/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/1521-3773(20001117)39:22<4130::aid-anie4130>3.0.co;2-eopenalex-snapshot
Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design
inferredcites →https://doi.org/10.1002/cmdc.200800178openalex-snapshot
On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces
inferredcites →https://doi.org/10.1002/jgt.3190030202openalex-snapshot
Further annotated bibliography on the isomorphism disease
inferredcites →https://doi.org/10.1002/jgt.3190120214openalex-snapshot
The reconstruction conjecture is true if all 2‐connected graphs are reconstructible
inferredcites →https://doi.org/10.1007/s10822-011-9473-6openalex-snapshot
De novo design by pharmacophore-based searches in fragment spaces
inferredcites →https://doi.org/10.1016/s1093-3263(01)00150-4openalex-snapshot
Designing focused libraries using MoSELECT
inferredcites →https://doi.org/10.1016/s1574-1400(09)00513-1openalex-snapshot
Annual Reports in Computational Chemistry
inferredcites →https://doi.org/10.1021/ci00001a004openalex-snapshot
The Chemical Abstracts Service generic chemical (Markush) structure storage and retrieval capability. 2. The MARPAT file
inferredcites →https://doi.org/10.1021/ci00031a010openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 2. GENSAL, a formal language for the description of generic chemical structures
inferredcites →https://doi.org/10.1021/ci00039a003openalex-snapshot
DARC substructure search system: a new approach to chemical information
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
inferredcites →https://doi.org/10.1021/ci00066a008openalex-snapshot
The Chemical Abstract's Service generic chemical (Markush) structure storage and retrieval capability. 1. Basic concepts
inferredcites →https://doi.org/10.1021/ci010381fopenalex-snapshot
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci800272aopenalex-snapshot
Searching Fragment Spaces with Feature Trees
inferredcites →https://doi.org/10.1021/ci8003013openalex-snapshot
Chemical Substructure Search in SQL
inferredcites →https://doi.org/10.1021/ci900287popenalex-snapshot
LoFT: Similarity-Driven Multiobjective Focused Library Design
inferredcites →https://doi.org/10.1021/ci950173lopenalex-snapshot
The Sheffield Generic Structures Projecta Retrospective Review
inferredcites →https://doi.org/10.1021/ci9600364openalex-snapshot
Handling Genericity in Chemical Structures Using the Markush Darc Software
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/jm0707727openalex-snapshot
Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces
inferredcites →https://doi.org/10.1021/jm970403iopenalex-snapshot
New Methodology for Profiling Combinatorial Libraries and Screening Sets: Cleaning Up the Design Process with HARPick
inferredcites →https://doi.org/10.1023/a:1008068904628openalex-snapshot
Feature trees: A new molecular similarity measure based on tree matching
inferredcites →https://doi.org/10.1023/a:1011144622059openalex-snapshot
Similarity searching in large combinatorial chemistry spaces
inferredcites →https://doi.org/10.1089/aid.1990.6.1289openalex-snapshot
Oligopeptide Inhibitors of HIV-Induced Syncytium Formation
inferredcites →https://doi.org/10.1093/comjnl/45.6.631openalex-snapshot
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
inferredcites →https://doi.org/10.1108/eum0000000007163openalex-snapshot
Chemical patents and structural information ‐ the Sheffield research in context
inferredcites →https://doi.org/10.1109/iciap.1999.797762openalex-snapshot
Performance evaluation of the VF graph matching algorithm
inferredcites →https://doi.org/10.1109/tpami.2004.75openalex-snapshot
A (sub)graph isomorphism algorithm for matching large graphs
inferredcites →https://doi.org/10.1111/j.1747-0285.2008.00672.xopenalex-snapshot
Concept of Combinatorial De Novo Design of Drug‐like Molecules by Particle Swarm Optimization
inferredcites →https://doi.org/10.1145/1066157.1066244openalex-snapshot
Substructure similarity search in graph databases
inferredcites →https://doi.org/10.1145/321921.321925openalex-snapshot
An Algorithm for Subgraph Isomorphism
inferredcites →https://doi.org/10.1145/362248.362272openalex-snapshot
Algorithm 447: efficient algorithms for graph manipulation
inferredcites →https://doi.org/10.1177/009286158201600406openalex-snapshot
CAS Information Services for Medicinal Chemists
inferredcites →https://doi.org/10.1186/1758-2946-2-s1-o9openalex-snapshot
KnowledgeSpace - a publicly available virtual chemistry space
inferredcites →https://doi.org/10.1371/journal.pcbi.1002380openalex-snapshot
DOGS: Reaction-Driven de novo Design of Bioactive Compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118742785.ch13openalex-snapshot
APPLICATIONS OF CHEMINFORMATICS IN PHARMACEUTICAL RESEARCH
inferred← citeshttps://doi.org/10.1002/9783527677016.ch14openalex-snapshot
Coping with Combinatorial Space in Molecular Design
inferred← citeshttps://doi.org/10.1007/s10822-022-00485-yopenalex-snapshot
Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
inferred← citeshttps://doi.org/10.1016/j.ins.2021.05.047openalex-snapshot
Efficient access methods for very large distributed graph databases
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00290openalex-snapshot
Fast Substructure Search in Combinatorial Library Spaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01865openalex-snapshot
Shape-Aware Synthon Search (SASS) for Virtual Screening of Synthon-Based Chemical Spaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00679openalex-snapshot
Open-Source Approach to GPU-Accelerated Substructure Search
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00117openalex-snapshot
FSees: Customized Enumeration of Chemical Subspaces with Limited Main Memory Consumption
inferred← citeshttps://doi.org/10.1021/ci400107kopenalex-snapshot
Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces
inferred← citeshttps://doi.org/10.5441/002/edbt.2019.06openalex-snapshot
Leveraging Bitmap Indexing for Subgraph Searching
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