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Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
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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(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1007/978-1-60761-839-3_2openalex-snapshot
Molecular Similarity Measures
inferredcites →https://doi.org/10.1007/bf02821337openalex-snapshot
The European Bioinformatics Institute
inferredcites →https://doi.org/10.1007/s00018-002-8472-0openalex-snapshot
Sleeping sickness and the brain
inferredcites →https://doi.org/10.1007/s10822-010-9365-1openalex-snapshot
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
inferredcites →https://doi.org/10.1016/j.bmc.2010.09.019openalex-snapshot
Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives
inferredcites →https://doi.org/10.1016/j.chembiol.2007.03.011openalex-snapshot
Molecular Similarity Analysis Uncovers Heterogeneous Structure-Activity Relationships and Variable Activity Landscapes
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
inferredcites →https://doi.org/10.1016/j.drudis.2009.04.003openalex-snapshot
Navigating structure–activity landscapes
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.jneb.2019.06.010openalex-snapshot
Advances in Food and Nutrition Research
inferredcites →https://doi.org/10.1017/s1462399409001252openalex-snapshot
Trypanocidal drugs: mechanisms, resistance and new targets
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci100062nopenalex-snapshot
Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments
inferredcites →https://doi.org/10.1021/ci100091eopenalex-snapshot
Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs
inferredcites →https://doi.org/10.1021/ci200054uopenalex-snapshot
Single R-Group Polymorphisms (SRPs) and R-Cliffs: An Intuitive Framework for Analyzing and Visualizing Activity Cliffs in a Single Analog Series
inferredcites →https://doi.org/10.1021/ci7000956openalex-snapshot
Assessment of Conformational Ensemble Sizes Necessary for Specific Resolutions of Coverage of Conformational Space
inferredcites →https://doi.org/10.1021/ci7004093openalex-snapshot
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
inferredcites →https://doi.org/10.1021/ci8001414openalex-snapshot
Assessing How Well a Modeling Protocol Captures a Structure−Activity Landscape
inferredcites →https://doi.org/10.1021/ci800249sopenalex-snapshot
How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space
inferredcites →https://doi.org/10.1021/ci800379qopenalex-snapshot
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
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Development of Potent Purine-Derived Nitrile Inhibitors of the Trypanosomal Protease TbcatB
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Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm900107bopenalex-snapshot
Exploration of Structure−Activity Relationship Determinants in Analogue Series
inferredcites →https://doi.org/10.1021/jm901069aopenalex-snapshot
Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB
inferredcites →https://doi.org/10.1039/9781847558879-00120openalex-snapshot
Molecular Similarity Analysis in Virtual Screening
inferredcites →https://doi.org/10.1039/b924677kopenalex-snapshot
Cysteine proteases as targets for metal-based drugs
inferredcites →https://doi.org/10.1039/c0md00159gopenalex-snapshot
Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps
inferredcites →https://doi.org/10.1039/c0md00188kopenalex-snapshot
Comparison of two- and three-dimensional activity landscape representations for different compound data sets
inferredcites →https://doi.org/10.1074/jbc.m402470200openalex-snapshot
A Cathepsin B-like Protease Is Required for Host Protein Degradation in Trypanosoma brucei
inferredcites →https://doi.org/10.1074/jbc.m805824200openalex-snapshot
A Parasite Cysteine Protease Is Key to Host Protein Degradation and Iron Acquisition
inferredcites →https://doi.org/10.1093/sysbio/45.3.380openalex-snapshot
The Probabilistic Basis of Jaccard's Index of Similarity
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00579.xopenalex-snapshot
A Similarity‐based Data‐fusion Approach to the Visual Characterization and Comparison of Compound Databases
inferredcites →https://doi.org/10.1517/17460441.2010.517832openalex-snapshot
How similar are those molecules after all? Use two descriptors and you will have three different answers
inferredcites →https://doi.org/10.2174/138955706778742768openalex-snapshot
On Scaffolds and Hopping in Medicinal Chemistry
inferredcites →https://doi.org/10.2174/157340908786786010openalex-snapshot
Visualization of the Chemical Space in Drug Discovery
inferredcites →https://doi.org/10.5169/seals-266450openalex-snapshot
Étude comparative de la distribution florale dans une portion des Alpes et du Jura
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118618110.ch10openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118618110.ch16openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118742785.ch15openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/ddr.21034openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/minf.201200078openalex-snapshot
Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps
inferred← citeshttps://doi.org/10.1002/minf.201200127openalex-snapshot
Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling
inferred← citeshttps://doi.org/10.1002/wcms.1087openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-62703-342-8_6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-032-10081-8_3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_8openalex-snapshot
Quantitative Structure-Epigenetic Activity Relationships
inferred← citeshttps://doi.org/10.1007/s10822-020-00298-xopenalex-snapshot
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach
inferred← citeshttps://doi.org/10.1007/s10822-021-00421-6openalex-snapshot
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction
inferred← citeshttps://doi.org/10.1007/s11030-013-9428-zopenalex-snapshot
Docking of a novel DNA methyltransferase inhibitor identified from high-throughput screening: insights to unveil inhibitors in chemical databases
inferred← citeshttps://doi.org/10.1007/s11030-014-9514-xopenalex-snapshot
Analysis of structure-Caco-2 permeability relationships using a property landscape approach
inferred← citeshttps://doi.org/10.1007/s11030-015-9609-zopenalex-snapshot
Activity cliffs and activity cliff generators based on chemotype-related activity landscapes
inferred← citeshttps://doi.org/10.1016/b978-0-12-800874-4.00021-0openalex-snapshot
Discovery and Development of Lead Compounds from Natural Sources Using Computational Approaches
inferred← citeshttps://doi.org/10.1016/bs.apcsb.2014.06.001openalex-snapshot
The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein–Ligand and Protein–Protein Interactions Landscapes for Drug Discovery
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.11.051openalex-snapshot
Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.02.046openalex-snapshot
Identification of benzoylisoquinolines as potential anti-Chagas agents
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.030openalex-snapshot
Chemoinformatics: A view of the field and current trends in method development
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.04.005openalex-snapshot
Activity landscape modeling of PPAR ligands with dual-activity difference maps
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.05.029openalex-snapshot
Furin inhibitors: Importance of the positive formal charge and beyond
inferred← citeshttps://doi.org/10.1016/j.drudis.2012.04.001openalex-snapshot
Expanding the medicinally relevant chemical space with compound libraries
inferred← citeshttps://doi.org/10.1016/j.drudis.2013.04.002openalex-snapshot
Systematic characterization of structure–activity relationships and ADMET compliance: a case study
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/10.1016/j.drudis.2025.104589openalex-snapshot
From obstacle to design advantage: activity cliff aware modeling for small-molecule drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01249openalex-snapshot
From Qualitative to Quantitative Analysis of Activity and Property Landscapes
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01493openalex-snapshot
Reliable Model Selection without Reference Values by Utilizing Model Diversity with Prediction Similarity
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00661openalex-snapshot
Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction
inferred← citeshttps://doi.org/10.1021/acsomega.0c03659openalex-snapshot
Quantitative Comparison of Three-Dimensional Activity Landscapes of Compound Data Sets Based upon Topological Features
inferred← citeshttps://doi.org/10.1021/ci200281vopenalex-snapshot
Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure
inferred← citeshttps://doi.org/10.1021/ci3002606openalex-snapshot
Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
inferred← citeshttps://doi.org/10.1021/ci300362xopenalex-snapshot
Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
inferred← citeshttps://doi.org/10.1021/ci400141wopenalex-snapshot
Compound Pathway Model To Capture SAR Progression: Comparison of Activity Cliff-Dependent and -Independent Pathways
inferred← citeshttps://doi.org/10.1021/ci400192yopenalex-snapshot
Rapid Scanning Structure–Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches
inferred← citeshttps://doi.org/10.1021/ci400243eopenalex-snapshot
Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities
inferred← citeshttps://doi.org/10.1021/ci400288ropenalex-snapshot
Conditional Probabilities of Activity Landscape Features for Individual Compounds
inferred← citeshttps://doi.org/10.1021/ci500721xopenalex-snapshot
Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
inferred← citeshttps://doi.org/10.1021/jm201706bopenalex-snapshot
Exploring Activity Cliffs in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/jm3004762openalex-snapshot
Introducing the LASSO Graph for Compound Data Set Representation and Structure–Activity Relationship Analysis
inferred← citeshttps://doi.org/10.1038/s41598-019-43125-6openalex-snapshot
Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees
inferred← citeshttps://doi.org/10.1039/c5ra12339aopenalex-snapshot
Activity landscape sweeping: insights into the mechanism of inhibition and optimization of DNMT1 inhibitors
inferred← citeshttps://doi.org/10.1039/c6ra26230aopenalex-snapshot
Getting SMARt in drug discovery: chemoinformatics approaches for mining structure–multiple activity relationships
inferred← citeshttps://doi.org/10.1055/s-0034-1396314openalex-snapshot
How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing
inferred← citeshttps://doi.org/10.1080/17460441.2018.1465926openalex-snapshot
Progress with modeling activity landscapes in drug discovery
inferred← citeshttps://doi.org/10.1111/cbdd.12162openalex-snapshot
Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2011.01235.xopenalex-snapshot
Representation of Multi‐Target Activity Landscapes Through Target Pair‐Based Compound Encoding in Self‐Organizing Maps
inferred← citeshttps://doi.org/10.1186/1758-2946-4-s1-p24openalex-snapshot
Activity-difference maps and consensus similarity measure characterize structure-activity relationships
inferred← citeshttps://doi.org/10.1186/1758-2946-4-s1-p26openalex-snapshot
A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis
inferred← citeshttps://doi.org/10.1186/1758-2946-6-11openalex-snapshot
On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?
inferred← citeshttps://doi.org/10.1186/s13321-024-00804-5openalex-snapshot
IDSL_MINT: a deep learning framework to predict molecular fingerprints from mass spectra
inferred← citeshttps://doi.org/10.12688/f1000research.124160.1openalex-snapshot
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inferred← citeshttps://doi.org/10.1371/journal.pone.0050798openalex-snapshot
Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products
inferred← citeshttps://doi.org/10.1517/17460441.2012.679616openalex-snapshot
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inferred← citeshttps://doi.org/10.1517/17460441.2015.1073257openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/1386207326666230705150110openalex-snapshot
Design and Diversity Analysis of Chemical Libraries in Drug Discovery
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-9fwmgopenalex-snapshot
Evolving Drug Design Methodology: from QSAR to AIDD
inferred← citeshttps://doi.org/10.3390/molecules23123282openalex-snapshot
Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1
inferred← citeshttps://doi.org/10.3390/molecules25173952openalex-snapshot
Computational Method for Quantitative Comparison of Activity Landscapes on the Basis of Image Data
inferred← citeshttps://doi.org/10.4155/fmc.15.51openalex-snapshot
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inferred← citeshttps://doi.org/10.6084/m9.figshare.25025960openalex-snapshot
Additional file 1 of IDSL_MINT: a deep learning framework to predict molecular fingerprints from mass spectra
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