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Luddite: An Information-Theoretic Library Design Tool
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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/j.1538-7305.1948.tb01338.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1007/0-306-46857-3_18openalex-snapshot
Novel Software Tools for Chemical Diversity
inferredcites →https://doi.org/10.1007/978-0-230-37405-8_1openalex-snapshot
Introduction to algorithms
inferredcites →https://doi.org/10.1016/s0065-7743(08)60590-4openalex-snapshot
Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
inferredcites →https://doi.org/10.1016/s0958-1669(99)00062-2openalex-snapshot
Chemoinformatics – predicting the physicochemical properties of 'drug-like' molecules
inferredcites →https://doi.org/10.1016/s1093-3263(00)00064-4openalex-snapshot
Oriented substituent pharmacophore PRopErtY space (OSPPREYS): a substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation
inferredcites →https://doi.org/10.1016/s1093-3263(00)00072-3openalex-snapshot
Combinatorial library design for diversity, cost efficiency, and drug-like character
inferredcites →https://doi.org/10.1016/s1093-3263(01)00148-6openalex-snapshot
Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design
inferredcites →https://doi.org/10.1016/s1359-6446(00)00114-8openalex-snapshot
HTS in the new millennium
inferredcites →https://doi.org/10.1016/s1359-6446(00)01516-6openalex-snapshot
The in silico world of virtual libraries
inferredcites →https://doi.org/10.1016/s1359-6446(00)01665-2openalex-snapshot
The design of combinatorial libraries using properties and 3D pharmacophore fingerprints
inferredcites →https://doi.org/10.1016/s1359-6446(01)02093-1openalex-snapshot
Statistical design and application to combinatorial chemistry
inferredcites →https://doi.org/10.1016/s1359-6446(99)01451-8openalex-snapshot
Computational methods for the prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1016/s1367-5931(97)80108-1openalex-snapshot
Computational approaches for combinatorial library design and molecular diversity analysis
inferredcites →https://doi.org/10.1021/cc9800024openalex-snapshot
Beyond Mere Diversity: Tailoring Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/ci000038vopenalex-snapshot
Ultrafast Algorithm for Designing Focused Combinational Arrays
inferredcites →https://doi.org/10.1021/ci000091jopenalex-snapshot
A Constant Time Algorithm for Estimating the Diversity of Large Chemical Libraries
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/ci960156bopenalex-snapshot
On the Use of Information Theory for Assessing Molecular Diversity
inferredcites →https://doi.org/10.1021/ci980103popenalex-snapshot
Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining
inferredcites →https://doi.org/10.1021/ci980138popenalex-snapshot
Design and Diversity Analysis of Large Combinatorial Libraries Using Cell-Based Methods
inferredcites →https://doi.org/10.1021/ci990183copenalex-snapshot
Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints
inferredcites →https://doi.org/10.1021/ja01062a035openalex-snapshot
p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
inferredcites →https://doi.org/10.1021/ja01062a036openalex-snapshot
Deoxyribonucleoside-3′,5′ Cyclic Phosphates. Synthesis and Acid-Catalyzed and Enzymic Hydrolysis
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm00280a002openalex-snapshot
Utilization of operational schemes for analog synthesis in drug design
inferredcites →https://doi.org/10.1021/jm00280a003openalex-snapshot
Relation of structures and microbiological activities of the 16-membered macrolides
inferredcites →https://doi.org/10.1021/jm015507eopenalex-snapshot
Simple Selection Criteria for Drug-like Chemical Matter
inferredcites →https://doi.org/10.1021/jm970033yopenalex-snapshot
Designing Combinatorial Library Mixtures Using a Genetic Algorithm
inferredcites →https://doi.org/10.1021/jm990578nopenalex-snapshot
A Rapid Computational Method for Lead Evolution: Description and Application to α1-Adrenergic Antagonists
inferredcites →https://doi.org/10.1147/rd.453.0545openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferredcites →https://doi.org/10.1177/108705719800300203openalex-snapshot
Informative Libraries are More Useful than Diverse Ones
inferredcites →https://doi.org/10.2174/1386207013330896openalex-snapshot
Computational Approaches Towards the Rational Design of Drug-like Compound Libraries
inferredcites →https://doi.org/10.5860/choice.33-1580openalex-snapshot
Combinatorics: topics, techniques, algorithms
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118075647.ch7openalex-snapshot
Structural Basis and Computational Modeling of Chiral Drugs
inferred← citeshttps://doi.org/10.1002/qsar.200510120openalex-snapshot
Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200810178openalex-snapshot
Designing a Combinatorial Library by Using Reagent Pharmacophore Fingerprint
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_7openalex-snapshot
Combinatorial Library Design from Reagent Pharmacophore Fingerprints
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/b0-08-045044-x/00278-9openalex-snapshot
Biological Fingerprints
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.bmcl.2004.10.045openalex-snapshot
5-Amidinobenzo[b]thiophenes as dual inhibitors of factors IXa and Xa
inferred← citeshttps://doi.org/10.1016/j.cbpa.2004.04.005openalex-snapshot
Applying data mining techniques to library design, lead generation and lead optimization
inferred← citeshttps://doi.org/10.1016/j.cbpa.2004.04.017openalex-snapshot
Integrating cheminformatic analysis in combinatorial chemistry
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.03.001openalex-snapshot
Design of a gene family screening library targeting G-protein coupled receptors
inferred← citeshttps://doi.org/10.1021/ci800231dopenalex-snapshot
ProSAR: A New Methodology for Combinatorial Library Design
inferred← citeshttps://doi.org/10.1021/jm020472jopenalex-snapshot
Informative Library Design as an Efficient Strategy to Identify and Optimize Leads: Application to Cyclin-Dependent Kinase 2 Antagonists
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