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Beyond Mere Diversity: Tailoring Combinatorial Libraries for Drug Discovery

https://doi.org/10.1021/cc9800024
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What this work says

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

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Optimization and visualization of molecular diversity of combinatorial libraries
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Similarity and clustering in chemical information systems
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Use of experimental design in the pharmaceutical industry
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Consequences of the Hansch Paradigm for the Pharmaceutical Industry
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Discovery of Nanomolar Ligands for 7-Transmembrane G-Protein-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library
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Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
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The Influence of Peptide Structure on Transport Across Caco-2 Cells. II. Peptide Bond Modification Which Results in Improved Permeability
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A Difficulty Information Approach to Substituent Selection in QSAR Studies
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Theory of Optimal Experiments.
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Multivariate Analysis-Methods and Applications.
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Correction to Algorithm AS 274: Least Squares Routines to Supplement those of Gentleman

What points at this work

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

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Chemoinformatics
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Cheminformatics
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The design of combinatorial libraries using properties and 3D pharmacophore fingerprints
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The impact of informatics and computational chemistry on synthesis and screening
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Chemical space navigation in lead discovery
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Reagent-based and product-based computational approaches in library design
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Recognizing molecules with drug-like properties
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Stochastic Similarity Selections from Large Combinatorial Libraries
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Diversity Measures for Enhancing ADME Admissibility of Combinatorial Libraries
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Multiobjective optimization of combinatorial libraries
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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
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Multiobjective optimization of combinatorial libraries
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Reactant- and product-based approaches to the design of combinatorial libraries
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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
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Analysis of selection methodologies for combinatorial library design
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Synthesis and derivatisation of a novel spiro[1-benzofuran-2,4′-piperidin]-3-one scaffold
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DESIGN OF STRUCTURAL COMBINATORIAL LIBRARIES THAT MIMIC BIOLOGIC MOTIFS*
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Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds
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5-Chlorospiro[indoline-3,7′-6H,7H,8H-pyrano[3,2-c:5,6-c′]di[1]benzopyran]-2,6′,8′-trione
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5-Methylspiro[indoline-3,7′-[6H,7H,8H]pyrano[3,2-c:5,6-c′]di[1]benzopyran]-2,6′,8′-trione chloroform hemisolvate
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Improved Sampling Methods for Evaluation of Classification Performance
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Multiobjective optimization of combinatorial libraries
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Halogenated Benzimidazole Carboxamides Target Integrin α4β1 on T-Cell and B-Cell Lymphomas
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Computational Aspects of Library Design and Combinatorial Chemistry
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Relative and Absolute Diversity Analysis of Combinatorial Libraries
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Glossary of Terms Used in Combinatorial Chemistry
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Approaches to Library Design for Combinatorial Chemistry
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Designing Combinatorial Libraries for Efficient Screening
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Designing Combinatorial Libraries Optimized on Multiple Objectives
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Synthetic polymer systems in drug development
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DISCOVERY OF NEW ANTITUMORAL AND ANTIBACTERIAL DRUGS FROM BRAZILIAN PLANT EXTRACTS USING HIGH THROUGHPUT SCREENING
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The development of a high-throughput/ combinatorial workflow for the study of porous polymer networks
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Statistical Molecular Design of Balanced Compound Libraries for QSAR Modeling
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Molecular Property Filters Describing Pharmacokinetics and Drug Binding
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Amyloid β -Protein Assembly as a Therapeutic Target of Alzheimers Disease
inferred← citeshttps://doi.org/10.2174/1568026023394227openalex-snapshot
New Paradigms in Drug Design and Discovery
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Anti-diabetic effects of oleanolic acid and matrine
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Balanced training/test set sampling for proper evaluation of classification models
inferred← citeshttps://doi.org/10.3390/app11052039openalex-snapshot
Feature-Weighted Sampling for Proper Evaluation of Classification Models
inferred← citeshttps://doi.org/10.3390/electronics14142876openalex-snapshot
An Effective Hybrid Sampling Strategy for Single-Split Evaluation of Classifiers
inferred← citeshttps://doi.org/10.3390/ijms20215326openalex-snapshot
Chemical Patterns of Proteasome Inhibitors: Lessons Learned from Two Decades of Drug Design
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High-Throughput Screening of Natural Product and Synthetic Molecule Libraries for Antibacterial Drug Discovery
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Antimicrobial activity of selected medicinal plants of Margalla Hills, Islamabad, Pakistan
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