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Neighborhood-Based Prediction of Novel Active Compounds from SAR Matrices
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/3527603743.ch11openalex-snapshot
Structure Modification in Chemical Databases
inferredcites →https://doi.org/10.1002/qsar.19880070303openalex-snapshot
Free Wilson Analysis. Theory, Applications and its Relationship to Hansch Analysis
inferredcites →https://doi.org/10.1007/s10822-008-9206-7openalex-snapshot
Visual exploration of structure–activity relationship using maximum common framework
inferredcites →https://doi.org/10.1007/s10822-013-9671-5openalex-snapshot
Systematic mining of analog series with related core structures in multi-target activity space
inferredcites →https://doi.org/10.1016/b978-0-12-374194-3.x0001-7openalex-snapshot
The Practice of Medicinal Chemistry
inferredcites →https://doi.org/10.1016/j.drudis.2010.06.004openalex-snapshot
Data structures and computational tools for the extraction of SAR information from large compound sets
inferredcites →https://doi.org/10.1016/j.drudis.2013.03.003openalex-snapshot
Matched Molecular Pair Analysis in drug discovery
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci300206eopenalex-snapshot
SAR Matrices: Automated Extraction of Information-Rich SAR Tables from Large Compound Data Sets
inferredcites →https://doi.org/10.1021/ci600338xopenalex-snapshot
The Scaffold Tree − Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
inferredcites →https://doi.org/10.1021/ci900450mopenalex-snapshot
Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
inferredcites →https://doi.org/10.1021/jm00135a001openalex-snapshot
A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry
inferredcites →https://doi.org/10.1021/jm00334a001openalex-snapshot
A Mathematical Contribution to Structure-Activity Studies
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm200026bopenalex-snapshot
Local Structural Changes, Global Data Views: Graphical Substructure−Activity Relationship Trailing
inferredcites →https://doi.org/10.1021/jm200452dopenalex-snapshot
Matched Molecular Pairs as a Medicinal Chemistry Tool
inferredcites →https://doi.org/10.1021/jm201706bopenalex-snapshot
Exploring Activity Cliffs in Medicinal Chemistry
inferredcites →https://doi.org/10.1021/jm3004762openalex-snapshot
Introducing the LASSO Graph for Compound Data Set Representation and Structure–Activity Relationship Analysis
inferredcites →https://doi.org/10.1023/a:1027221424359openalex-snapshot
Similarity and Dissimilarity: A Medicinal Chemist's View
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1385/1-59259-802-1:131openalex-snapshot
Methods for Applying the Quantitative Structure-Activity Relationship Paradigm
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.201400164openalex-snapshot
Hit Expansion from Screening Data Based upon Conditional Probabilities of Activity Derived from SAR Matrices
inferred← citeshttps://doi.org/10.1002/minf.202000045openalex-snapshot
The SAR Matrix Method and an Artificially Intelligent Variant for the Identification and Structural Organization of Analog Series, SAR Analysis, and Compound Design
inferred← citeshttps://doi.org/10.1007/s10822-021-00379-5openalex-snapshot
Adapting the DeepSARM approach for dual-target ligand design
inferred← citeshttps://doi.org/10.1016/j.ailsci.2021.100015openalex-snapshot
Iterative DeepSARM modeling for compound optimization
inferred← citeshttps://doi.org/10.1016/j.bmc.2014.11.042openalex-snapshot
Identification of potent orally active factor Xa inhibitors based on conjugation strategy and application of predictable fragment recommender system
inferred← citeshttps://doi.org/10.1016/j.bmc.2021.116357openalex-snapshot
Development of curcumin-based amyloid β aggregation inhibitors for Alzheimer's disease using the SAR matrix approach
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c02121openalex-snapshot
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00055openalex-snapshot
Novel Methods for Prioritizing “Close-In” Analogs from Structure–Activity Relationship Matrices
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00557openalex-snapshot
Method for Systematic Analogue Search Using the Mega SAR Matrix Database
inferred← citeshttps://doi.org/10.1021/acsomega.9b00595openalex-snapshot
Integrating the Structure–Activity Relationship Matrix Method with Molecular Grid Maps and Activity Landscape Models for Medicinal Chemistry Applications
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch005openalex-snapshot
Going Beyond R-Group Tables
inferred← citeshttps://doi.org/10.1039/c6md00108dopenalex-snapshot
Recent developments in SAR visualization
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1231714openalex-snapshot
N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis
inferred← citeshttps://doi.org/10.12688/f1000research.4185.1openalex-snapshot
The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics
inferred← citeshttps://doi.org/10.12688/f1000research.4185.2openalex-snapshot
The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics
inferred← citeshttps://doi.org/10.12688/f1000research.4481openalex-snapshot
The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics
inferred← citeshttps://doi.org/10.12688/f1000research.6271.1openalex-snapshot
Follow-up: Prospective compound design using the ‘SAR Matrix’ method and matrix-derived conditional probabilities of activity
inferred← citeshttps://doi.org/10.12688/f1000research.6271.2openalex-snapshot
Follow-up: Prospective compound design using the ‘SAR Matrix’ method and matrix-derived conditional probabilities of activity
inferred← citeshttps://doi.org/10.1273/cbij.17.1openalex-snapshot
A Novel Fragment Recommendation Workflow using Direct and Indirect Transfer of SAR According to Integrated Similarities of Scaffold Motifs and SAR Trends: Application to Identifying Factor Xa Inhibitors
inferred← citeshttps://doi.org/10.1515/psr-2018-0166openalex-snapshot
Statistical methods for in silico tools used for risk assessment and toxicology
inferred← citeshttps://doi.org/10.3390/molecules26175291openalex-snapshot
Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications
inferred← citeshttps://doi.org/10.4155/fdd-2020-0005openalex-snapshot
Deep SAR matrix: SAR matrix expansion for advanced analog design using deep learning architectures
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