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Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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High‐Throughput Screening in Drug Discovery
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Lead‐Oriented Synthesis: A New Opportunity for Synthetic Chemistry
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Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
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The Design, Annotation, and Application of a Kinase-Targeted Library
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Upper and Lower Probabilities Induced by a Multivalued Mapping
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Efficiency of hit generation and structural characterization in fragment-based ligand discovery
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Novel trends in high-throughput screening
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Chemical diversity and biological activity
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R&D technology investments: misguided and expensive or a better way to discover medicines?
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Similarity-based virtual screening using 2D fingerprints
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Structure–Activity Relationships for In vitro and In vivo Toxicity
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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
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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The application of non-combinatorial chemistry to lead discovery
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A fresh look at pharmaceutical screening library design
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Rational Methods for the Selection of Diverse Screening Compounds
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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
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Strategic Pooling of Compounds for High-Throughput Screening
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Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease
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New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
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Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States
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Lessons from 60 years of pharmaceutical innovation
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Virtual screening: an endless staircase?
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Impact of high-throughput screening in biomedical research
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The productivity crisis in pharmaceutical R&D
inferredcites →https://doi.org/10.1038/nrd3552openalex-snapshot
The influence of the 'organizational factor' on compound quality in drug discovery
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Diagnosing the decline in pharmaceutical R&D efficiency
inferredcites →https://doi.org/10.1038/sj.bjp.0707373openalex-snapshot
Origin and evolution of high throughput screening
inferredcites →https://doi.org/10.1128/aac.49.11.4721-4732.2005openalex-snapshot
Maraviroc (UK-427,857), a Potent, Orally Bioavailable, and Selective Small-Molecule Inhibitor of Chemokine Receptor CCR5 with Broad-Spectrum Anti-Human Immunodeficiency Virus Type 1 Activity
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Plate-Based Diversity Selection Based on Empirical HTS Data to Enhance the Number of Hits and Their Chemical Diversity
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False Positives in the Early Stages of Drug Discovery
inferredcites →https://doi.org/10.2174/138620704772884832openalex-snapshot
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How Large Does a Compound Screening Collection Need To Be?
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Key Aspects of the Novartis Compound Collection Enhancement Project for the Compilation of a Comprehensive Chemogenomics Drug Discovery Screening Collection
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Effectiveness of 2D Fingerprints for Scaffold Hopping
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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