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A Scalable Approach to Combinatorial Library Design for Drug Discovery

https://doi.org/10.1021/ci700023y
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What this work says

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

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Principal Component Analysis
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A Mathematical Theory of Communication
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Functional protein nanoarrays for biomarker profiling
inferredcites →https://doi.org/10.1007/978-1-4615-3626-0openalex-snapshot
Vector Quantization and Signal Compression
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1093-3263(00)00063-2openalex-snapshot
Kolmogorov-Smirnov statistic and its application in library design
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1016/s1367-5931(97)80108-1openalex-snapshot
Computational approaches for combinatorial library design and molecular diversity analysis
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Experimental Designs for Selecting Molecules from Large Chemical Databases
inferredcites →https://doi.org/10.1021/jm00036a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1021/jm970775ropenalex-snapshot
IcePick: A Flexible Surface-Based System for Molecular Diversity
inferredcites →https://doi.org/10.1103/physrev.106.620openalex-snapshot
Information Theory and Statistical Mechanics
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Information Theory and Statistical Mechanics. II
inferredcites →https://doi.org/10.1103/physrevlett.65.945openalex-snapshot
Statistical mechanics and phase transitions in clustering
inferredcites →https://doi.org/10.1109/34.236251openalex-snapshot
Constrained clustering as an optimization method
inferredcites →https://doi.org/10.1109/5.726788openalex-snapshot
Deterministic annealing for clustering, compression, classification, regression, and related optimization problems
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Rate Distortion Theory: A Mathematical Basis for Data Compression
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Least squares quantization in PCM
inferredcites →https://doi.org/10.1109/tit.1982.1056492openalex-snapshot
The hexagon theorem
inferredcites →https://doi.org/10.1126/science.220.4598.671openalex-snapshot
Optimization by Simulated Annealing
inferredcites →https://doi.org/10.1126/science.6403986openalex-snapshot
Bone Cell Differentiation and Growth Factors
inferredcites →https://doi.org/10.1147/rd.453.0545openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferredcites →https://doi.org/10.21136/cmj.1973.101168openalex-snapshot
Algebraic connectivity of graphs
inferredcites →https://doi.org/10.2172/6691328openalex-snapshot
Multidimensional spectral load balancing
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.2307/2988136openalex-snapshot
Clustering Algorithms.

What points at this work

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

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ChemInform Abstract: A Scalable Approach to Combinatorial Library Design for Drug Discovery.
inferred← citeshttps://doi.org/10.1002/ddr.20404openalex-snapshot
Molecular similarity and diversity approaches in chemoinformatics
inferred← citeshttps://doi.org/10.1007/978-1-4471-2265-4_10openalex-snapshot
Dynamic Coverage and Clustering: A Maximum Entropy Approach
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_4openalex-snapshot
A Scalable Approach to Combinatorial Library Design
inferred← citeshttps://doi.org/10.1016/j.neucom.2015.05.125openalex-snapshot
Biogeography-based optimization for identifying promising compounds in chemical process
inferred← citeshttps://doi.org/10.1021/ci200061popenalex-snapshot
Accelerating Two Algorithms for Large-Scale Compound Selection on GPUs
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Deterministic annealing for clustering: Tutorial and computational aspects
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An entropy-based framework for dynamic clustering and coverage problems
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Fast algorithm for finding true number of clusters. applications to control systems
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Dynamic Maximum Entropy algorithms for clustering and coverage control
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On reduction of graphs and Markov chain models
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Clustering large networks of parametric dynamic generative models
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A Visual Analytics Model Applied to Lead Generation Library Design in Drug Discovery
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Entropy-Based Framework for Dynamic Coverage and Clustering Problems
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Clustering and Coverage Control for Systems With Acceleration-Driven Dynamics
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Aggregation of Graph Models and Markov Chains by Deterministic Annealing
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Simultaneous Facility Location and Path Optimization in Static and Dynamic Networks
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Parameterized MDPs and Reinforcement Learning Problems—A Maximum Entropy Principle-Based Framework
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Maximum Entropy Principle-Based Algorithm for Simultaneous Resource Location and Multihop Routing in Multiagent Networks
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Storage Consumption Reduction using Improved Inverted Indexing for Similarity Search on LINGO Profiles
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On the Persistence of Clustering Solutions and True Number of Clusters in a Dataset
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Combined resource allocation and route optimization in multiagent networks: A scalable approach
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Coverage Optimization using Generalized Voronoi Partition
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