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Searching for Coordinated Activity Cliffs Using Particle Swarm Optimization
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/bfb0040810openalex-snapshot
Parameter selection in particle swarm optimization
inferredcites →https://doi.org/10.1016/j.jpba.2004.02.026openalex-snapshot
QSAR analysis of cyclooxygenase inhibitor using particle swarm optimization and multiple linear regression
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci2001692openalex-snapshot
Extraction of Discontinuous Structure–Activity Relationships from Compound Data Sets through Particle Swarm Optimization
inferredcites →https://doi.org/10.1021/ci2002473openalex-snapshot
From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis
inferredcites →https://doi.org/10.1021/jm0104668openalex-snapshot
Feature Selection for Structure−Activity Correlation Using Binary Particle Swarms
inferredcites →https://doi.org/10.1021/jm0400101openalex-snapshot
Control of Hepatitis C: A Medicinal Chemistry Perspective
inferredcites →https://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferredcites →https://doi.org/10.1021/jm0705713openalex-snapshot
SAR Index: Quantifying the Nature of Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm201706bopenalex-snapshot
Exploring Activity Cliffs in Medicinal Chemistry
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00588.xopenalex-snapshot
Research Article: pso @ autodock : A Fast Flexible Molecular Docking Program Based on Swarm Intelligence
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/10.1111/j.1747-0285.2011.01150.xopenalex-snapshot
Comprehensive Analysis of Single‐ and Multi‐Target Activity Cliffs Formed by Currently Available Bioactive Compounds
inferredcites →https://doi.org/10.1111/j.1747-0285.2011.01256.xopenalex-snapshot
Exploring SAR Continuity in the Vicinity of Activity Cliffs
inferredcites →https://doi.org/10.1142/s0218001405004083openalex-snapshot
PARTICLE SWARM OPTIMIZATION METHOD FOR IMAGE CLUSTERING
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.201300016openalex-snapshot
Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression‐Based Approach
inferred← citeshttps://doi.org/10.1002/minf.201400026openalex-snapshot
Exploring Activity Cliffs from a Chemoinformatics Perspective
inferred← citeshttps://doi.org/10.1002/minf.201600023openalex-snapshot
Advances in Activity Cliff Research
inferred← citeshttps://doi.org/10.1002/minf.202200049openalex-snapshot
Pharmacophore Modeling of Targets Infested with Activity Cliffs via Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore Generation Methods: KDR as Case Study
inferred← citeshttps://doi.org/10.1007/978-981-97-5979-8_15openalex-snapshot
Performance of Weightless Swarm Algorithm on Numerical Benchmark Functions
inferred← citeshttps://doi.org/10.1007/s10822-012-9632-4openalex-snapshot
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account
inferred← citeshttps://doi.org/10.1007/s10822-021-00435-0openalex-snapshot
Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study
inferred← citeshttps://doi.org/10.1007/s10822-025-00721-1openalex-snapshot
Deep learning model for activity cliffs prediction: a comprehensive approach to protein kinase inhibitors
inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00023-2openalex-snapshot
A systematic chemoinformatic analysis of chemical space, scaffolds and antimicrobial activity of LpxC inhibitors
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2025.110169openalex-snapshot
A new computational cross-structure-activity relationship (C-SAR) approach applies to a selective HDAC6 inhibitor dataset for accelerated structure development
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.02.003openalex-snapshot
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00359openalex-snapshot
Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression
inferred← citeshttps://doi.org/10.1021/ci300274copenalex-snapshot
Extending the Activity Cliff Concept: Structural Categorization of Activity Cliffs and Systematic Identification of Different Types of Cliffs in the ChEMBL Database
inferred← citeshttps://doi.org/10.1021/ci300306aopenalex-snapshot
Prediction of Activity Cliffs Using Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci400597dopenalex-snapshot
Prediction of Individual Compounds Forming Activity Cliffs Using Emerging Chemical Patterns
inferred← citeshttps://doi.org/10.1021/jm401120gopenalex-snapshot
Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1038/s41598-024-59501-wopenalex-snapshot
Protein characteristics substantially influence the propensity of activity cliffs among kinase inhibitors
inferred← citeshttps://doi.org/10.1186/s13321-023-00708-wopenalex-snapshot
Exploring QSAR models for activity-cliff prediction
inferred← citeshttps://doi.org/10.12688/f1000research.2-199.v1openalex-snapshot
Advancing the activity cliff concept
inferred← citeshttps://doi.org/10.12688/f1000research.3788.1openalex-snapshot
Advancing the activity cliff concept, part II
inferred← citeshttps://doi.org/10.12688/f1000research.4057openalex-snapshot
Advancing the activity cliff concept, part II
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1120840/v1openalex-snapshot
Activity Cliffs As Protein-Related Phenomenon: Investigation Using Machine Learning Against Numerous Protein Kinases
inferred← citeshttps://doi.org/10.32604/cmc.2025.060109openalex-snapshot
Machine Learning-Based Methods for Materials Inverse Design: A Review
inferred← citeshttps://doi.org/10.70675/2b63c353z8184z4bbbzbfbcz9ce124edd263openalex-snapshot
New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction
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