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On the Use of Information Theory for Assessing Molecular Diversity
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527616824openalex-snapshot
QSAR: Hansch Analysis and Related Approaches
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb00917.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1007/978-1-4757-0450-1openalex-snapshot
Pattern Recognition with Fuzzy Objective Function Algorithms
inferredcites →https://doi.org/10.1007/s007830050010openalex-snapshot
Molecular Diversity Assessment: Logarithmic Relations of Information and Species Diversity and Logarithmic Relations of Entropy and Indistinguishability after Rejection of Gibbs Paradox of Entropy of Mixing
inferredcites →https://doi.org/10.1016/s0165-6147(00)89046-xopenalex-snapshot
QSAR: Hansch analysis and related approaches
inferredcites →https://doi.org/10.1021/ci9700337openalex-snapshot
Stochastic Algorithms for Maximizing Molecular Diversity
inferredcites →https://doi.org/10.1063/1.3067010openalex-snapshot
The Mathematical Theory of Communication
inferredcites →https://doi.org/10.1109/91.227387openalex-snapshot
A possibilistic approach to clustering
inferredcites →https://doi.org/10.1109/91.531779openalex-snapshot
The possibilistic C-means algorithm: insights and recommendations
inferredcites →https://doi.org/10.1109/91.531780openalex-snapshot
Comments on "A possibilistic approach to clustering"
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0470845015.cma020fopenalex-snapshot
Diversity of Chemical Libraries
inferred← citeshttps://doi.org/10.1002/0471266949.bmc005openalex-snapshot
Combinatorial Library Design, Molecular Similarity, and Diversity Applications
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Nonlinear mapping of massive data sets by fuzzy clustering and neural networks
inferred← citeshttps://doi.org/10.1002/1096-987x(20010415)22:5%3c488::aid-jcc1020%3e3.0.co;2-4openalex-snapshot
Multidimensional scaling and visualization of large molecular similarity tables
inferred← citeshttps://doi.org/10.1002/9783527613083.ch12openalex-snapshot
The Measurement of Molecular Diversity
inferred← citeshttps://doi.org/10.1002/9783527620982.ch73openalex-snapshot
Bioinformatics: From Peptides to Profiled Leads
inferred← citeshttps://doi.org/10.1002/jcc.1126openalex-snapshot
Multidimensional scaling of combinatorial libraries without explicit enumeration
inferred← citeshttps://doi.org/10.1002/jcc.24423openalex-snapshot
Using the gini coefficient to measure the chemical diversity of small‐molecule libraries
inferred← citeshttps://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferred← citeshttps://doi.org/10.1007/0-306-46873-5openalex-snapshot
Molecular Diversity in Drug Design
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_6openalex-snapshot
Subset-Selection Methods For Chemical Databases
inferred← citeshttps://doi.org/10.1007/978-94-017-0735-0_9openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1007/s11030-006-9042-4openalex-snapshot
JEDA: Joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02568-3openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/j.comptc.2015.09.016openalex-snapshot
Information entropy of oxygen allotropes. A still open discussion about the closed form of ozone
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.10.014openalex-snapshot
Information entropy of interstellar and circumstellar carbon-containing molecules: Molecular size against structural complexity
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00063-2openalex-snapshot
Kolmogorov-Smirnov statistic and its application in library design
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00073-5openalex-snapshot
Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity
inferred← citeshttps://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferred← citeshttps://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00334openalex-snapshot
Information Entropy of Fullerenes
inferred← citeshttps://doi.org/10.1021/ci000091jopenalex-snapshot
A Constant Time Algorithm for Estimating the Diversity of Large Chemical Libraries
inferred← citeshttps://doi.org/10.1021/ci000313dopenalex-snapshot
Design and Prioritization of Plates for High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/ci025566gopenalex-snapshot
Luddite: An Information-Theoretic Library Design Tool
inferred← citeshttps://doi.org/10.1021/ci0342324openalex-snapshot
Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
inferred← citeshttps://doi.org/10.1021/ci049787topenalex-snapshot
A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization
inferred← citeshttps://doi.org/10.1021/ci9700337openalex-snapshot
Stochastic Algorithms for Maximizing Molecular Diversity
inferred← citeshttps://doi.org/10.1021/ci980100copenalex-snapshot
An Efficient Implementation of Distance-Based Diversity Measures Based on k−d Trees
inferred← citeshttps://doi.org/10.1021/ci990109uopenalex-snapshot
Stochastic Similarity Selections from Large Combinatorial Libraries
inferred← citeshttps://doi.org/10.1023/a:1009636310640openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1023/a:1020837112154openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1021320124615openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1080/00268970500083283openalex-snapshot
New indices for describing the multi-configurational nature of the coupled cluster wave function
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1147/rd.453.0545openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.11606/t.60.2006.tde-14052007-084032openalex-snapshot
Lychnophora ericoides' Mart: avaliação farmacológica e considerações sobre o metabolismo oxidativo das substâncias bioativas
inferred← citeshttps://doi.org/10.2174/1386207024607392openalex-snapshot
Scalable Methods for the Construction and Analysis of Virtual Combinatorial Libraries
inferred← citeshttps://doi.org/10.4018/978-1-4666-2077-3.ch009openalex-snapshot
Complexity, Emergence and Molecular Diversity via Information Theory
inferred← citeshttps://doi.org/10.48550/arxiv.physics/9910032openalex-snapshot
Diversity Assessment Based on a Higher Similarity-Higher Entropy Relation after Rejection of Gibbs Paradox
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