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Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated 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)1098-1128(199601)16:1<3::aid-med1>3.0.co;2-6openalex-snapshot
The art and practice of structure-based drug design: A molecular modeling perspective
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/anie.200462457openalex-snapshot
Virtual Exploration of the Small‐Molecule Chemical Universe below 160 Daltons
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/10.1007/s10822-011-9473-6openalex-snapshot
De novo design by pharmacophore-based searches in fragment spaces
inferredcites →https://doi.org/10.1016/s0172-2190(03)00073-5openalex-snapshot
Markush structure searching over the years
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/ci00023a001openalex-snapshot
Computer Storage and Retrieval of Generic Chemical Structures in Patents. 16. The Refined Search: An Algorithm for Matching Components of Generic Chemical Structures at the Atom-Bond Level
inferredcites →https://doi.org/10.1021/ci00039a003openalex-snapshot
DARC substructure search system: a new approach to chemical information
inferredcites →https://doi.org/10.1021/ci00055a007openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval
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/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci100209aopenalex-snapshot
From Structure Diagrams to Visual Chemical Patterns
inferredcites →https://doi.org/10.1021/ci3000387openalex-snapshot
A System for Encoding and Searching Markush Structures
inferredcites →https://doi.org/10.1021/ci300283aopenalex-snapshot
Searching for Substructures in Fragment Spaces
inferredcites →https://doi.org/10.1021/ci600305hopenalex-snapshot
Molecular Query Language (MQL)A Context-Free Grammar for Substructure Matching
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/ci9600364openalex-snapshot
Handling Genericity in Chemical Structures Using the Markush Darc Software
inferredcites →https://doi.org/10.1021/ci960109jopenalex-snapshot
SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation
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/ja902302hopenalex-snapshot
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
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:1011144622059openalex-snapshot
Similarity searching in large combinatorial chemistry spaces
inferredcites →https://doi.org/10.1039/c0md00020eopenalex-snapshot
Chemical space as a source for new drugs
inferredcites →https://doi.org/10.1080/10629360802348985openalex-snapshot
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
inferredcites →https://doi.org/10.1089/aid.1990.6.1289openalex-snapshot
Oligopeptide Inhibitors of HIV-Induced Syncytium Formation
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/10.1177/009286158201600406openalex-snapshot
CAS Information Services for Medicinal Chemists
inferredcites →https://doi.org/10.1186/1758-2946-4-13openalex-snapshot
Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2
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/10.1002/9783527677016.ch14openalex-snapshot
Coping with Combinatorial Space in Molecular Design
inferred← citeshttps://doi.org/10.1007/s10822-016-9931-2openalex-snapshot
Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015
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.ejmech.2018.11.075openalex-snapshot
NAOMInext – Synthetically feasible fragment growing in a structure-based design context
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.07.007openalex-snapshot
Hierarchical virtual screening approaches in small molecule drug discovery
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.6b00117openalex-snapshot
FSees: Customized Enumeration of Chemical Subspaces with Limited Main Memory Consumption
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00537openalex-snapshot
Development and Testing of Druglike Screening Libraries
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00704openalex-snapshot
Conformator: A Novel Method for the Generation of Conformer Ensembles
inferred← citeshttps://doi.org/10.1038/s41598-021-04031-yopenalex-snapshot
Intelligent pharmaceutical patent search on a near-term gate-based quantum computer
inferred← citeshttps://doi.org/10.1146/annurev-matsci-070214-020823openalex-snapshot
What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
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