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Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb01338.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1021/ci000321uopenalex-snapshot
Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations
inferredcites →https://doi.org/10.1021/ci0003303openalex-snapshot
Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations
inferredcites →https://doi.org/10.1021/ci010243qopenalex-snapshot
Differential Shannon Entropy Analysis Identifies Molecular Property Descriptors that Predict Aqueous Solubility of Synthetic Compounds with High Accuracy in Binary QSAR Calculations
inferredcites →https://doi.org/10.1021/ci0102867openalex-snapshot
Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci049875dopenalex-snapshot
A Comparative Study on Feature Selection Methods for Drug Discovery
inferredcites →https://doi.org/10.1021/ci900087yopenalex-snapshot
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback−Leibler Divergence Analysis
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1109/18.61115openalex-snapshot
Divergence measures based on the Shannon entropy
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1007/978-1-61779-465-0_4openalex-snapshot
Information Entropic Functions for Molecular Descriptor Profiling
inferred← citeshttps://doi.org/10.1007/978-3-031-81728-1_12openalex-snapshot
Success Stories of QSAR Methods in Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-319-10226-9_1openalex-snapshot
Introduction to Molecular Similarity and Chemical Space
inferred← citeshttps://doi.org/10.1007/s00894-011-1157-6openalex-snapshot
Application of information theory to feature selection in protein docking
inferred← citeshttps://doi.org/10.1007/s10822-018-0171-5openalex-snapshot
Boosted feature selectors: a case study on prediction P-gp inhibitors and substrates
inferred← citeshttps://doi.org/10.1007/s11030-014-9565-zopenalex-snapshot
IMMAN: free software for information theory-based chemometric analysis
inferred← citeshttps://doi.org/10.1016/j.cej.2022.136662openalex-snapshot
Machine-learning-guided reaction kinetics prediction towards solvent identification for chemical absorption of carbonyl sulfide
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.10.007openalex-snapshot
Enhanced replacement method integration with genetic algorithms populations in QSAR and QSPR theories
inferred← citeshttps://doi.org/10.1021/acs.est.5b01742openalex-snapshot
In Silico Approach To Identify Potential Thyroid Hormone Disruptors among Currently Known Dust Contaminants and Their Metabolites
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00244openalex-snapshot
The Often-Overlooked Power of Summary Statistics in Exploratory Data Analysis: Comparison of Pattern Recognition Entropy (PRE) to Other Summary Statistics and Introduction of Divided Spectrum-PRE (DS-PRE)
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00295openalex-snapshot
Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes
inferred← citeshttps://doi.org/10.1021/ci200079bopenalex-snapshot
Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories
inferred← citeshttps://doi.org/10.1080/1062936x.2019.1588160openalex-snapshot
Filter feature selectors in the development of binary QSAR models
inferred← citeshttps://doi.org/10.1109/tnnls.2014.2334599openalex-snapshot
Optimization of a Multilayer Neural Network by Using Minimal Redundancy Maximal Relevance-Partial Mutual Information Clustering With Least Square Regression
inferred← citeshttps://doi.org/10.1155/2013/427958openalex-snapshot
Efficacious End User Measures—Part 1: Relative Class Size and End User Problem Domains
inferred← citeshttps://doi.org/10.1177/1087057113505325openalex-snapshot
Using Weighted Entropy to Rank Chemicals in Quantitative High-Throughput Screening Experiments
inferred← citeshttps://doi.org/10.1186/s13065-024-01376-zopenalex-snapshot
Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins
inferred← citeshttps://doi.org/10.3390/biomedicines10020491openalex-snapshot
PTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors
inferred← citeshttps://doi.org/10.5740/jaoacint.sge_goodarziopenalex-snapshot
Feature Selection Methods in QSAR Studies
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