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Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities

https://doi.org/10.1021/ci400243e
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9783527645121.ch11openalex-snapshot
Consensus Models of Activity Landscapes
inferredcites →https://doi.org/10.1002/cem.1399openalex-snapshot
Characterization of a comprehensive flavor database
inferredcites →https://doi.org/10.1002/minf.201000061openalex-snapshot
Best Practices for QSAR Model Development, Validation, and Exploitation
inferredcites →https://doi.org/10.1002/wcms.1087openalex-snapshot
Exploring structure–activity data using the landscape paradigm
inferredcites →https://doi.org/10.1007/978-1-60761-839-3_2openalex-snapshot
Molecular Similarity Measures
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.bmc.2012.03.010openalex-snapshot
Combining multiple classifications of chemical structures using consensus clustering
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/10.1021/cc7001205openalex-snapshot
Strategies for the Use of Mixture-Based Synthetic Combinatorial Libraries: Scaffold Ranking, Direct Testing In Vivo, and Enhanced Deconvolution by Computational Methods
inferredcites →https://doi.org/10.1021/ci100477mopenalex-snapshot
Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions
inferredcites →https://doi.org/10.1021/ci200081kopenalex-snapshot
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
inferredcites →https://doi.org/10.1021/ci200281vopenalex-snapshot
Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure
inferredcites →https://doi.org/10.1021/ci2005274openalex-snapshot
Comparative Analysis of Pharmacophore Screening Tools
inferredcites →https://doi.org/10.1021/ci200615hopenalex-snapshot
Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions
inferredcites →https://doi.org/10.1021/ci300047kopenalex-snapshot
Exploring Uncharted Territories: Predicting Activity Cliffs in Structure–Activity Landscapes
inferredcites →https://doi.org/10.1021/ci3002606openalex-snapshot
Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
inferredcites →https://doi.org/10.1021/ci300306aopenalex-snapshot
Prediction of Activity Cliffs Using Support Vector Machines
inferredcites →https://doi.org/10.1021/ci300362xopenalex-snapshot
Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
inferredcites →https://doi.org/10.1021/ci7004093openalex-snapshot
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
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/10.1111/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/10.1517/17460441.2012.679616openalex-snapshot
Modeling of activity landscapes for drug discovery
inferredcites →https://doi.org/10.2174/0929867003375317openalex-snapshot
Molecular Modeling and Computer Aided Drug Design. Examples of their Applications in Medicinal Chemistry
inferredcites →https://doi.org/10.2174/092986709789578213openalex-snapshot
How to Recognize and Workaround Pitfalls in QSAR Studies: A Critical Review
inferredcites →https://doi.org/10.29356/jmcs.v56i2.316openalex-snapshot
Towards the Bioassay Activity Landscape Modeling in Compound Databases

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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/10.1016/b978-0-12-802808-7.00013-7openalex-snapshot
Computational Structure–Activity Relationship Studies of Epigenetic Target Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00903openalex-snapshot
Roughness of Molecular Property Landscapes and Its Impact on Modellability
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/jm501628sopenalex-snapshot
Combinatorial Libraries As a Tool for the Discovery of Novel, Broad-Spectrum Antibacterial Agents Targeting the ESKAPE Pathogens
inferred← citeshttps://doi.org/10.1080/17460441.2018.1465926openalex-snapshot
Progress with modeling activity landscapes in drug discovery
inferred← citeshttps://doi.org/10.1517/17460441.2015.1073257openalex-snapshot
Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery
inferred← citeshttps://doi.org/10.2174/1386207319666160324123844openalex-snapshot
Identification of Protein Palmitoylation Inhibitors from a Scaffold Ranking Library
inferred← citeshttps://doi.org/10.4155/fmc.13.173openalex-snapshot
Chemoinformatic Characterization of Activity and Selectivity Switches of Antiprotozoal Compounds
inferred← citeshttps://doi.org/10.4155/fmc.15.51openalex-snapshot
Activity and Property Landscape Modeling is at the Interface of Chemoinformatics and Medicinal Chemistry
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