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Strategic Pooling of Compounds for High-Throughput Screening
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A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury
inferred← citeshttps://doi.org/10.1126/sciadv.aao1551openalex-snapshot
Identification and prioritization of novel anti- Wolbachia chemotypes from screening a 10,000-compound diversity library
inferred← citeshttps://doi.org/10.1177/1087057103008003001openalex-snapshot
Multiplexing Nuclear Receptors for Agonist Identification in a Cell-Based Reporter Gene High-Throughput Screen
inferred← citeshttps://doi.org/10.1177/1087057103260590openalex-snapshot
Enrichment of Extremely Noisy High-Throughput Screening Data Using a Naïve Bayes Classifier
inferred← citeshttps://doi.org/10.1177/1087057104270017openalex-snapshot
An Offline-Addition Format for Identifying GPCR Modulators by Screening 384-Well Mixed Compounds in the FLIPR
inferred← citeshttps://doi.org/10.1177/1087057106295220openalex-snapshot
Utility of Large-Scale Transiently Transfected Cells for Cell-Based High-Throughput Screens to Identify Transient Receptor Potential Channel A1 (TRPA1) Antagonists
inferred← citeshttps://doi.org/10.1177/1087057113476090openalex-snapshot
High-Throughput Identification of Promiscuous Inhibitors from Screening Libraries with the Use of a Thiol-Containing Fluorescent Probe
inferred← citeshttps://doi.org/10.1177/1087057115572988openalex-snapshot
Just-in-Time Compound Pooling Increases Primary Screening Capacity without Compromising Screening Quality
inferred← citeshttps://doi.org/10.1177/1177391x0700100003openalex-snapshot
The pKaDistribution of Drugs: Application to Drug Discovery
inferred← citeshttps://doi.org/10.1177/2211068213504095openalex-snapshot
Effect of Liquid-Handling Accuracy on Assay Performance
inferred← citeshttps://doi.org/10.1177/2211068213513453openalex-snapshot
Development of a Novel Screening Strategy Designed to Discover a New Class of HIV Drugs
inferred← citeshttps://doi.org/10.1177/2211068215595355openalex-snapshot
Screening Pools of Compounds against Multiple Endogenously Expressed Targets in a Chemoproteomics Binding Assay
inferred← citeshttps://doi.org/10.1177/2472555217706058openalex-snapshot
Prospective Assessment of Virtual Screening Heuristics Derived Using a Novel Fusion Score
inferred← citeshttps://doi.org/10.1177/2472555218768497openalex-snapshot
Nuisance Compounds, PAINS Filters, and Dark Chemical Matter in the GSK HTS Collection
inferred← citeshttps://doi.org/10.1186/1471-2105-9-396openalex-snapshot
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
inferred← citeshttps://doi.org/10.1186/1752-153x-7-49openalex-snapshot
Designing of inhibitors against drug tolerant Mycobacterium tuberculosis (H37Rv)
inferred← citeshttps://doi.org/10.1186/1758-2946-4-13openalex-snapshot
Systematic benchmark of substructure search in molecular graphs - From Ullmann to VF2
inferred← citeshttps://doi.org/10.1186/s13065-023-01110-1openalex-snapshot
Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations
inferred← citeshttps://doi.org/10.1186/s13321-016-0137-3openalex-snapshot
Badapple: promiscuity patterns from noisy evidence
inferred← citeshttps://doi.org/10.1186/s13321-020-0408-xopenalex-snapshot
Towards reproducible computational drug discovery
inferred← citeshttps://doi.org/10.1198/004017005000000481openalex-snapshot
Statistical Design of Pools Using Optimal Coverage and Minimal Collision
inferred← citeshttps://doi.org/10.1201/9780203913390.ch23openalex-snapshot
Computational Aspects of Library Design and Combinatorial Chemistry
inferred← citeshttps://doi.org/10.1254/fpj.149.180openalex-snapshot
Design of high-quality compound library and open innovation
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1002380openalex-snapshot
DOGS: Reaction-Driven de novo Design of Bioactive Compounds
inferred← citeshttps://doi.org/10.1371/journal.pntd.0006157openalex-snapshot
Discovery of novel, orally bioavailable, antileishmanial compounds using phenotypic screening
inferred← citeshttps://doi.org/10.1371/journal.pone.0062906openalex-snapshot
The Open Access Malaria Box: A Drug Discovery Catalyst for Neglected Diseases
inferred← citeshttps://doi.org/10.1371/journal.pone.0129370openalex-snapshot
Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug Repurposing
inferred← citeshttps://doi.org/10.1371/journal.pone.0236668openalex-snapshot
When to use one-dimensional, two-dimensional, and Shifted Transversal Design pooling in mycotoxin screening
inferred← citeshttps://doi.org/10.1385/1-59259-285-6:277openalex-snapshot
Approaches to Library Design for Combinatorial Chemistry
inferred← citeshttps://doi.org/10.2139/ssrn.6051468openalex-snapshot
Identification and optimization of first-in-class RNA helicase inhibitors
inferred← citeshttps://doi.org/10.2174/138161209789824786openalex-snapshot
Customizing G Protein-Coupled Receptor Models for Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.2174/138620711797537148openalex-snapshot
Integration of Virtual and High Throughput Screening in Lead Discovery Settings
inferred← citeshttps://doi.org/10.2174/1386207316666131117172549openalex-snapshot
Liquid-Phase Combinatorial Library Synthesis: Recent Advances and Future Perspectives
inferred← citeshttps://doi.org/10.2174/1568026033392606openalex-snapshot
Design of Small Molecule Libraries for NMR Screening and Other Applications in Drug Discovery
inferred← citeshttps://doi.org/10.2174/1573406415666190222125333openalex-snapshot
Discovery of New Phosphoinositide 3-kinase Delta (PI3Kδ) Inhibitors via Virtual Screening using Crystallography-derived Pharmacophore Modelling and QSAR Analysis
inferred← citeshttps://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited
inferred← citeshttps://doi.org/10.22201/fesz.23958723e.2024.652openalex-snapshot
Quimioinformática, Inteligencia Artificial y la Química de Alimentos
inferred← citeshttps://doi.org/10.3389/fchem.2021.771143openalex-snapshot
Chagas Disease Drug Discovery in Latin America—A Mini Review of Antiparasitic Agents Explored Between 2010 and 2021
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