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A Knowledge-Based Weighting Approach to Ligand-Based Virtual Screening
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1016/s1093-3263(98)00018-7openalex-snapshot
Development of filter functions for protein–ligand docking
inferredcites →https://doi.org/10.1016/s1359-6446(01)02091-8openalex-snapshot
Virtual screening and fast automated docking methods
inferredcites →https://doi.org/10.1016/s1359-6446(02)02289-4openalex-snapshot
Genome annotation techniques: new approaches and challenges
inferredcites →https://doi.org/10.1016/s1359-6446(02)02411-xopenalex-snapshot
Why do we need so many chemical similarity search methods?
inferredcites →https://doi.org/10.1021/ci000397qopenalex-snapshot
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination
inferredcites →https://doi.org/10.1021/ci0100144openalex-snapshot
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches
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Similarity Searching Using Reduced Graphs
inferredcites →https://doi.org/10.1021/ci0255937openalex-snapshot
Further Development of Reduced Graphs for Identifying Bioactive Compounds
inferredcites →https://doi.org/10.1021/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferredcites →https://doi.org/10.1021/ci049860fopenalex-snapshot
The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci990070topenalex-snapshot
An Alignment-Independent Versatile Structure Descriptor for QSAR and QSPR Based on the Distribution of Molecular Features
inferredcites →https://doi.org/10.1021/jm00251a015openalex-snapshot
Preparation and antitumor activity of 4'-thio analogs of 2,2'-anhydro-1-.beta.-D-arabinofuranosylcytosine
inferredcites →https://doi.org/10.1021/jm021077wopenalex-snapshot
Mapping Property Distributions of Molecular Surfaces: Algorithm and Evaluation of a Novel 3D Quantitative Structure−Activity Relationship Technique
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm049312topenalex-snapshot
Interaction Profiles of Protein Kinase−Inhibitor Complexes and Their Application to Virtual Screening
inferredcites →https://doi.org/10.1021/jm049611iopenalex-snapshot
Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)
inferredcites →https://doi.org/10.1023/a:1008068904628openalex-snapshot
Feature trees: A new molecular similarity measure based on tree matching
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferredcites →https://doi.org/10.1126/science.1058312openalex-snapshot
Control of a Genetic Regulatory Network by a Selector Gene
inferredcites →https://doi.org/10.1126/science.1059344openalex-snapshot
Structural Mechanism for Statin Inhibition of HMG-CoA Reductase
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Knowledge‐Based and Computational Approaches to In Vitro Safety Pharmacology
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Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/jcc.21347openalex-snapshot
Identification of small molecule aggregators from large compound libraries by support vector machines
inferred← citeshttps://doi.org/10.1002/minf.201000019openalex-snapshot
Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
inferred← citeshttps://doi.org/10.1002/qsar.200610091openalex-snapshot
Scaffold‐Hopping: How Far Can You Jump?
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_8openalex-snapshot
Reduced Graphs and Their Applications in Chemoinformatics
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/10.1016/b978-0-12-409547-2.14960-1openalex-snapshot
Three Heterocyclic Rings Fused (5-5-5)
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.008openalex-snapshot
In silico target fishing: Predicting biological targets from chemical structure
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.12.002openalex-snapshot
A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00017openalex-snapshot
Protein–Ligand Empirical Interaction Components for Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c03087openalex-snapshot
Computational Hit Finding: An Industry Perspective
inferred← citeshttps://doi.org/10.1021/acsomega.3c02803openalex-snapshot
Pharmacophore-Based Machine Learning Model To Predict Ligand Selectivity for E3 Ligase Binders
inferred← citeshttps://doi.org/10.1021/ci400078gopenalex-snapshot
LiGen: A High Performance Workflow for Chemistry Driven de Novo Design
inferred← citeshttps://doi.org/10.1021/ci800022eopenalex-snapshot
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds
inferred← citeshttps://doi.org/10.1021/ci800391vopenalex-snapshot
SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches
inferred← citeshttps://doi.org/10.1021/ci900078hopenalex-snapshot
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci900135uopenalex-snapshot
Virtual Screening of Abl Inhibitors from Large Compound Libraries by Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci900356mopenalex-snapshot
Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test Case
inferred← citeshttps://doi.org/10.1021/ci900382eopenalex-snapshot
Combining Machine Learning and Pharmacophore-Based Interaction Fingerprint for in Silico Screening
inferred← citeshttps://doi.org/10.1021/jm0707727openalex-snapshot
Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces
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Topological Pharmacophores
inferred← citeshttps://doi.org/10.1186/1752-153x-6-139openalex-snapshot
Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries
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