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An Efficient Design for Chemical Structure Searching. I. The Screens
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity
inferred← citeshttps://doi.org/10.1002/9780470125786.ch6openalex-snapshot
Searching Databases of Three‐Dimensional Structures
inferred← citeshttps://doi.org/10.1002/9780470125847.ch1openalex-snapshot
Similarity Searching in Databases of Chemical Structures
inferred← citeshttps://doi.org/10.1002/9780470147306.ch5openalex-snapshot
Searching Techniques for Databases of Three‐Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527618279.ch2openalex-snapshot
A History of Chemoinformatics
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/cem.1180010303openalex-snapshot
A review of chemical structure retrieval systems
inferred← citeshttps://doi.org/10.1002/cmdc.200700199openalex-snapshot
Similarity Searching using Compound Class‐Specific Combinations of Substructures Found in Randomly Generated Molecular Fragment Populations
inferred← citeshttps://doi.org/10.1002/cmdc.200800408openalex-snapshot
Improving the Search Performance of Extended Connectivity Fingerprints through Activity‐Oriented Feature Filtering and Application of a Bit‐Density‐Dependent Similarity Function
inferred← citeshttps://doi.org/10.1002/cphc.202200255openalex-snapshot
An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine‐Learning Prediction of Chemical Reaction and Molecular Properties
inferred← citeshttps://doi.org/10.1002/jmr.300080503openalex-snapshot
Searching for pharmacophoric patterns in databases of three‐dimensional chemical structures
inferred← citeshttps://doi.org/10.1002/recl.19921110602openalex-snapshot
SYNthesis LIBrary, an expert system for chemical‐reaction knowledge‐base management
inferred← citeshttps://doi.org/10.1007/3-540-15983-5_6openalex-snapshot
Symbolic computation and chemistry
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_9openalex-snapshot
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1007/bf01718702openalex-snapshot
Optimization and visualization of molecular diversity of combinatorial libraries
inferred← citeshttps://doi.org/10.1007/s10947-006-0300-1openalex-snapshot
Structure-property modelling of complex formation of strontium with organic ligands in water
inferred← citeshttps://doi.org/10.1016/0306-4573(83)90031-6openalex-snapshot
Document retrieval using a serial bit string search
inferred← citeshttps://doi.org/10.1016/0898-5529(90)90119-sopenalex-snapshot
Selection of screens for three-dimensional substructure searching
inferred← citeshttps://doi.org/10.1016/s0008-6215(97)00196-1openalex-snapshot
Representation and searching of carbohydrate structures using graph-theoretic techniques
inferred← citeshttps://doi.org/10.1021/ci020343bopenalex-snapshot
Encoding of Polycyclic Si-Containing Molecules for Determining Species Uniqueness in Automated Mechanism Generation
inferred← citeshttps://doi.org/10.1021/ci020373eopenalex-snapshot
Cyclical Conjunction: An Efficient Operator for the Extraction of Cycles from a Graph
inferred← citeshttps://doi.org/10.1021/ci049885eopenalex-snapshot
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
inferred← citeshttps://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferred← citeshttps://doi.org/10.1021/ci980147yopenalex-snapshot
A Novel Approach to Retrosynthetic Analysis Using Knowledge Bases Derived from Reaction Databases
inferred← citeshttps://doi.org/10.1021/ci9803334openalex-snapshot
Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model To Automate Structure-Based Physical Property Estimation
inferred← citeshttps://doi.org/10.1021/ci9908190openalex-snapshot
Binary Formal Inference-Based Recursive Modeling Using Multiple Atom and Physicochemical Property Class Pair and Torsion Descriptors as Decision Criteria
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1023/a:1015972508135openalex-snapshot
Differential Molecular Connectivity in Data-Base Fragment Searching
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00723.xopenalex-snapshot
RelACCS‐FP: A Structural Minimalist Approach to Fingerprint Design
inferred← citeshttps://doi.org/10.1177/0165551507084631openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
inferred← citeshttps://doi.org/10.1177/016555158901500404openalex-snapshot
Subgraphs of reduced chemical graphs as screens for substructure searching of specific chemical structures
inferred← citeshttps://doi.org/10.1897/01-198openalex-snapshot
Structure-activity relationship approaches and applications
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.29085/9781856049986.010openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
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