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SwiFT: An Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering
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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(19991216)38:24<3743::aid-anie3743>3.0.co;2-uopenalex-snapshot
The Design of Leadlike Combinatorial Libraries
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Template-Mediated Synthesis of Polycyclic Aromatic Hydrocarbons: Cyclodehydrogenation and Planarization of a Hexaphenylbenzene Derivative at a Copper Surface
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Ueber Thioderivate des β‐Naphtols
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Methods and Principles in Medicinal Chemistry
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Introduction to algorithms
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A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies
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From Ukkonen to McCreight and Weiner: A Unifying View of Linear-Time Suffix Tree Construction
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Crystal structure of the Cys2 activator-binding domain of protein kinase Cδ in complex with phorbol ester
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Why do we need so many chemical similarity search methods?
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Novel technologies for virtual screening
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Structure of the Catalytic Domain of Human Protein Kinase C β II Complexed with a Bisindolylmaleimide Inhibitor
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Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation
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A LISP program for the generation of IUPAC names from chemical structures
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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Computer-aided molecular formula determination from mass, proton and carbon-13 NMR spectra
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3DSEARCH: a system for three-dimensional substructure searching
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Novel Methods for the Prediction of logP, pKa, and logD
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Similarity Searching Using Reduced Graphs
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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
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Scaffold Hopping Using Clique Detection Applied to Reduced Graphs
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Training Similarity Measures for Specific Activities: Application to Reduced Graphs
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Successful Virtual Screening for a Submicromolar Antagonist of the Neurokinin-1 Receptor Based on a Ligand-Supported Homology Model
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Molecular Complexity Analysis of de Novo Designed Ligands
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Multiple-Ligand-Based Virtual Screening: Methods and Applications of the MTree Approach
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Feature trees: A new molecular similarity measure based on tree matching
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Similarity searching in large combinatorial chemistry spaces
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Algorithm AS 136: A K-Means Clustering Algorithm
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200740204openalex-snapshot
SwiFT: An Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering.
inferred← citeshttps://doi.org/10.1002/cmdc.201800761openalex-snapshot
Chiral Graphs: Reduced Representations of Ligand Scaffolds for Stereoselective Biomolecular Recognition, Drug Design, and Enhanced Exploration of Chemical Structure Space
inferred← citeshttps://doi.org/10.1007/s10822-009-9285-0openalex-snapshot
Analysis and use of fragment-occurrence data in similarity-based virtual screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00242openalex-snapshot
Differential Multimolecule Fingerprint for Similarity Search─Making Use of Active and Inactive Compound Sets in Virtual Screening
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Improving Similarity-Driven Library Design: Customized Matching and Regioselective Feature Trees
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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
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Bioisosteric Similarity of Molecules Based on Structural Alignment and Observed Chemical Replacements in Drugs
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Mining Statistically Significant Molecular Substructures for Efficient Molecular Classification
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LoFT: Similarity-Driven Multiobjective Focused Library Design
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Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1186/1758-2946-1-5openalex-snapshot
Evaluation of a Bayesian inference network for ligand-based virtual screening
inferred← citeshttps://doi.org/10.4155/fmc.11.3openalex-snapshot
Graph-Based Similarity Concepts in Virtual Screening
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