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Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening Library

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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/cbic.200400211openalex-snapshot
High‐Throughput Screening for Kinase Inhibitors
inferredcites →https://doi.org/10.1002/cmdc.200700139openalex-snapshot
Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
inferredcites →https://doi.org/10.1016/j.coph.2009.08.004openalex-snapshot
Novel trends in high-throughput screening
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/10.1021/ci060003gopenalex-snapshot
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases
inferredcites →https://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferredcites →https://doi.org/10.1021/ci900464sopenalex-snapshot
Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers
inferredcites →https://doi.org/10.1021/jm010533yopenalex-snapshot
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
inferredcites →https://doi.org/10.1038/nrd2983openalex-snapshot
Voltage-gated potassium channels as therapeutic targets
inferredcites →https://doi.org/10.1089/adt.2008.171openalex-snapshot
An Ion Channel Library for Drug Discovery and Safety Screening on Automated Platforms
inferredcites →https://doi.org/10.1093/nar/gkq1062openalex-snapshot
IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data
inferredcites →https://doi.org/10.1111/j.1472-8206.2007.00548.xopenalex-snapshot
Drugs and their molecular targets: an updated overview
inferredcites →https://doi.org/10.1113/jphysiol.2009.183160openalex-snapshot
Atomic structure and dynamics of pentameric ligand-gated ion channels: new insight from bacterial homologues
inferredcites →https://doi.org/10.1177/1087057106292473openalex-snapshot
High-Throughput Screening: Update on Practices and Success
inferredcites →https://doi.org/10.2174/138620711795767802openalex-snapshot
The Design and Application of Target-Focused Compound Libraries
inferredcites →https://doi.org/10.2174/156802606775193347openalex-snapshot
Recent Developments in Focused Library Design: Targeting Gene-Families
inferredcites →https://doi.org/10.4155/fmc.10.180openalex-snapshot
Screening Technologies for Ion Channel Drug Discovery

What points at this work

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

inferred← citeshttps://doi.org/10.1007/978-1-4939-2239-0_4openalex-snapshot
A General ANN-Based Multitasking Model for the Discovery of Potent and Safer Antibacterial Agents
inferred← citeshttps://doi.org/10.1007/978-981-15-6815-2_5openalex-snapshot
Database Resources for Drug Discovery
inferred← citeshttps://doi.org/10.1007/s00044-017-1936-4openalex-snapshot
De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles
inferred← citeshttps://doi.org/10.1007/s11030-015-9571-9openalex-snapshot
Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway
inferred← citeshttps://doi.org/10.1007/s11030-017-9731-1openalex-snapshot
Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
inferred← citeshttps://doi.org/10.1007/s11030-017-9766-3openalex-snapshot
Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
inferred← citeshttps://doi.org/10.1016/b978-0-08-101129-4.00003-5openalex-snapshot
Multitasking Model for Computer-Aided Design and Virtual Screening of Compounds With High Anti-HIV Activity and Desirable ADMET Properties
inferred← citeshttps://doi.org/10.1016/b978-0-12-820472-6.00017-7openalex-snapshot
Systems Pharmacology: Enabling Multidimensional Therapeutics
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00157-3openalex-snapshot
Public Chemical Databases
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.07.020openalex-snapshot
ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen
inferred← citeshttps://doi.org/10.1016/j.bmc.2013.01.035openalex-snapshot
TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases
inferred← citeshttps://doi.org/10.1016/j.drudis.2012.11.008openalex-snapshot
The promiscuous binding of pharmaceutical drugs and their transporter-mediated uptake into cells: what we (need to) know and how we can do so
inferred← citeshttps://doi.org/10.1016/j.drudis.2018.10.009openalex-snapshot
The power of combining phenotypic and target-focused drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2013.08.035openalex-snapshot
Model for high-throughput screening of drug immunotoxicity – Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry
inferred← citeshttps://doi.org/10.1016/j.neuropharm.2015.12.019openalex-snapshot
Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00073openalex-snapshot
MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00386openalex-snapshot
Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00537openalex-snapshot
Development and Testing of Druglike Screening Libraries
inferred← citeshttps://doi.org/10.1021/acscombsci.7b00039openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci300382fopenalex-snapshot
Locating Sweet Spots for Screening Hits and Evaluating Pan-Assay Interference Filters from the Performance Analysis of Two Lead-like Libraries
inferred← citeshttps://doi.org/10.1021/ci400632yopenalex-snapshot
Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening
inferred← citeshttps://doi.org/10.1021/ci400716yopenalex-snapshot
ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks
inferred← citeshttps://doi.org/10.1021/cn400111nopenalex-snapshot
Model for High-Throughput Screening of Multitarget Drugs in Chemical Neurosciences: Synthesis, Assay, and Theoretic Study of Rasagiline Carbamates
inferred← citeshttps://doi.org/10.1039/9781839160233-00398openalex-snapshot
Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study
inferred← citeshttps://doi.org/10.1039/9781849735087-00016openalex-snapshot
High-Throughput Screening
inferred← citeshttps://doi.org/10.1080/17460441.2017.1339032openalex-snapshot
Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.
inferred← citeshttps://doi.org/10.1093/humrep/dex055openalex-snapshot
Drug discovery for male subfertility using high-throughput screening: a new approach to an unsolved problem
inferred← citeshttps://doi.org/10.1177/24725552211019410openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1758-2946-4-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot
High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients
inferred← citeshttps://doi.org/10.1517/17460441.2015.1006195openalex-snapshot
Multitasking models for quantitative structure–biological effect relationships: current status and future perspectives to speed up drug discovery
inferred← citeshttps://doi.org/10.2174/15680266112126660221openalex-snapshot
Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents
inferred← citeshttps://doi.org/10.2174/1568026611313140011openalex-snapshot
General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry
inferred← citeshttps://doi.org/10.2174/1568026621666211012110819openalex-snapshot
Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery
inferred← citeshttps://doi.org/10.2174/1574893610666151008013413openalex-snapshot
MI-NODES Multiscale Models of Metabolic Reactions, Brain Connectome, Ecological, Epidemic, World Trade, and Legal-Social Networks
inferred← citeshttps://doi.org/10.3389/fmicb.2022.1078318openalex-snapshot
Identification of a small molecule 0390 as a potent antimicrobial agent to combat antibiotic-resistant Escherichia coli
inferred← citeshttps://doi.org/10.3390/antibiotics10081005openalex-snapshot
Computational Drug Repurposing for Antituberculosis Therapy: Discovery of Multi-Strain Inhibitors
inferred← citeshttps://doi.org/10.3390/app14209344openalex-snapshot
Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents
inferred← citeshttps://doi.org/10.3390/ecsoc-17-e001openalex-snapshot
Computational model for multiplex assay of drug immunotoxicity in macrophage - study of the anti-microbial G1 using flow cytometry
inferred← citeshttps://doi.org/10.3390/ecsoc-19-e013openalex-snapshot
Hypertension: A mt-QSAR Model for Seeking New Drugs for the Hypertension Treatment using Multiple Conditions.
inferred← citeshttps://doi.org/10.3390/ijms150917035openalex-snapshot
Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates
inferred← citeshttps://doi.org/10.3390/ijms24119226openalex-snapshot
Recent Advances in Computer-Aided Structure-Based Drug Design on Ion Channels
inferred← citeshttps://doi.org/10.3390/ijms262311453openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/microorganisms13071620openalex-snapshot
In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors
inferred← citeshttps://doi.org/10.4155/ebo.13.181openalex-snapshot
Molecular docking and structure-based virtual screening
inferred← citeshttps://doi.org/10.4155/fmc-2018-0076openalex-snapshot
A Review of Ligand-Based Virtual Screening Web Tools and Screening Algorithms in Large Molecular Databases in the Age of Big Data
inferred← citeshttps://doi.org/10.4155/fmc.14.136openalex-snapshot
Chemoinformatics for Medicinal Chemistry: In Silico Model to Enable the Discovery of Potent and Safer Anti-Cocci Agents
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