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Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1098-2299(199810)45:2<83::aid-ddr5>3.0.co;2-gopenalex-snapshot
Combinatorial chemistry and molecular diversity in drug discovery
inferredcites →https://doi.org/10.1002/9780470125793.ch9openalex-snapshot
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure‐Property Modeling
inferredcites →https://doi.org/10.1016/0167-6377(96)00025-9openalex-snapshot
Computational aspects of the maximum diversity problem
inferredcites →https://doi.org/10.1016/s1359-6446(98)01186-6openalex-snapshot
Approaches to virtual library design
inferredcites →https://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferredcites →https://doi.org/10.1021/cc9800024openalex-snapshot
Beyond Mere Diversity: Tailoring Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/cen-09224-meetings1openalex-snapshot
248th ACS National Meeting
inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot
Clustering of chemical structures on the basis of two-dimensional similarity measures
inferredcites →https://doi.org/10.1021/ci9601426openalex-snapshot
Combinatorial Chemistry and Molecular Diversity. An Overview
inferredcites →https://doi.org/10.1021/ci970056lopenalex-snapshot
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
inferredcites →https://doi.org/10.1021/ci970095xopenalex-snapshot
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
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/ci980137xopenalex-snapshot
Metric Validation and the Receptor-Relevant Subspace Concept
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/ci980332bopenalex-snapshot
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties
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/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
What points at this work
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An intelligent approach to the discovery of luminescent materials using a combinatorial approach combined with Taguchi methodology
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Quantitative structure−pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k‐nearest‐neighbor and partial least‐square analysis methods**This paper was presented in part at the Annual Meeting of the American Association of…
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A Cheminformatic Toolkit for Mining Biomedical Knowledge
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Screening Library Selection and High-Throughput Screening Analysis/Triage
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Design of focused and restrained subsets from extremely large virtual libraries
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Reagent-based and product-based computational approaches in library design
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Design and Analysis of a Combinatorial Library of HEPT Analogues: Comparison of Selection Methodologies and Inspection of the Actually Covered Chemical Space
inferred← citeshttps://doi.org/10.1021/ci0504871openalex-snapshot
GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties
inferred← citeshttps://doi.org/10.1021/ci060074fopenalex-snapshot
Explicit Diversity Index (EDI): A Novel Measure for Assessing the Diversity of Compound Databases
inferred← citeshttps://doi.org/10.1021/ci600433copenalex-snapshot
Cell-Integral-Diversity Criterion: A Proposal for Minimizing Cluster Artifact in Cell-Based Selections
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ProSAR: A New Methodology for Combinatorial Library Design
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Optimization of the Single-Phased White Phosphor of Li 2 SrSiO 4 : Eu 2+ , Ce 3+ for Light-Emitting Diodes by Using the Combinatorial Approach Assisted with the Taguchi Method
inferred← citeshttps://doi.org/10.1073/pnas.0813029106openalex-snapshot
Docking for fragment inhibitors of AmpC β-lactamase
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Protein design-scapes generated by microfluidic DNA assembly elucidate domain coupling in the bacterial histidine kinase CpxA
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Selection of appropriate training and validation set chemicals for modelling dermal permeability by U-optimal design
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Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
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