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Physicochemical Descriptors of Aromatic Character and Their Use in Drug Discovery
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Palladium-Catalyzed Coupling Reactions of Aryl Chlorides
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A Rationally Designed Universal Catalyst for Suzuki–Miyaura Coupling Processes
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Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
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Cover Picture: Integrated Synthetic Strategy for Higher Catechin Oligomers (Angew. Chem. Int. Ed. 21/2011)
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Pd‐Catalyzed N‐Arylation of Heteroarylamines.
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A Consistent Dataset of Kinetic Solubilities for Early‐Phase Drug Discovery
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Inflation of correlation in the pursuit of drug-likeness
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Triazole oxytocin antagonists: Identification of an aryloxyazetidine replacement for a biaryl substituent
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Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules
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Performance of some variable selection methods when multicollinearity is present
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The impact of aromatic ring count on compound developability – are too many aromatic rings a liability in drug design?
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Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity
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The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types
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Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity
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Considering the impact drug-like properties have on the chance of success
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How drug-like are ‘ugly’ drugs: do drug-likeness metrics predict ADME behaviour in humans?
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices
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Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation
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ESOL: Estimating Aqueous Solubility Directly from Molecular Structure
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3D Molecular Descriptors Important for Clinical Success
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Expanding Pd-Catalyzed C−N Bond-Forming Processes: The First Amidation of Aryl Sulfonates, Aqueous Amination, and Complementarity with Cu-Catalyzed Reactions
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The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates
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Beyond Size, Ionization State, and Lipophilicity: Influence of Molecular Topology on Absorption, Distribution, Metabolism, Excretion, and Toxicity for Druglike Compounds
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Application of the Bicyclo[1.1.1]pentane Motif as a Nonclassical Phenyl Ring Bioisostere in the Design of a Potent and Orally Active γ-Secretase Inhibitor
inferredcites →https://doi.org/10.1021/jm701407xopenalex-snapshot
Straightforward Recursive Partitioning Model for Discarding Insoluble Compounds in the Drug Discovery Process
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Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
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Pd-catalyzed N-arylation of heteroarylamines.
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Quantifying the chemical beauty of drugs
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Impact of ion class and time on oral drug molecular properties
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Escape from Flatland 2: complexity and promiscuity
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Increasing small molecule drug developability in sub-optimal chemical space
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Prediction of drug solubility from molecular structure using a drug-like training set
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Impact of Physicochemical Profiling for Rational Approach on Drug Discovery
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inferred← citeshttps://doi.org/10.26434/chemrxiv.12902504.v1openalex-snapshot
Palbociclib and Ribociclib Analogs Targeting CDK4 and CDK6 for Breast Cancer Treatment: A Molecular Modeling Study
inferred← citeshttps://doi.org/10.26434/chemrxiv.13356842openalex-snapshot
Nature as a Treasure Trove for Anti-COVID-19: Luteolin and Naringenin from Indonesian Traditional Herbal Medicine Reveal Potential SARS-CoV-2 Mpro Inhibitors Insight from in Silico Studies
inferred← citeshttps://doi.org/10.26434/chemrxiv.13356842.v1openalex-snapshot
Nature as a Treasure Trove for Anti-COVID-19: Luteolin and Naringenin from Indonesian Traditional Herbal Medicine Reveal Potential SARS-CoV-2 Mpro Inhibitors Insight from in Silico Studies
inferred← citeshttps://doi.org/10.3390/cimb46070451openalex-snapshot
Using Multiscale Molecular Modeling to Analyze Possible NS2b-NS3 Protease Inhibitors from Philippine Medicinal Plants
inferred← citeshttps://doi.org/10.3390/m1243openalex-snapshot
Unexpected Formation of 4-aryl-1-(Propane-2-ylidenehydrazono)-2,3-diazaspiro[5.5]undec-3-ene by the Reaction of Pyridazinethiones Derivatives with Hydrazine
inferred← citeshttps://doi.org/10.3390/nano10010090openalex-snapshot
A Comprehensive Cheminformatics Analysis of Structural Features Affecting the Binding Activity of Fullerene Derivatives
inferred← citeshttps://doi.org/10.3390/targets3010001openalex-snapshot
Aromaticity as a Useful Descriptor of Pharmacological Activity: A Case Study of Quinoline-Based Antimalarial Agents
inferred← citeshttps://doi.org/10.3410/f.740105200.793585637openalex-snapshot
Faculty Opinions recommendation of Target-Based Evaluation of "Drug-Like" Properties and Ligand Efficiencies.
inferred← citeshttps://doi.org/10.4155/fmc-2022-0188openalex-snapshot
Advances in Nonclassical Phenyl Bioisosteres for Drug Structural Optimization
inferred← citeshttps://doi.org/10.5269/bspm.79647openalex-snapshot
Regression-Based QSPR Modelling of Functionalized Aromatic Compounds with Degree-Based Topological Indices
inferred← citeshttps://doi.org/10.5599/admet.530openalex-snapshot
The role and impact of high throughput biomimetic measurements in drug discovery
inferred← citeshttps://doi.org/10.6084/m9.figshare.12277031openalex-snapshot
Additional file 1 of Aromatic clusters in protein–protein and protein–drug complexes
inferred← citeshttps://doi.org/10.70675/739b862fz8f84z446fz83f9z9cf2fc5357efopenalex-snapshot
Méthodologies de synthèses d'hétérocycles bicycliques (6-5) et (5-5). Application à la conception d'inhibiteurs de kinases impliquées en oncologie et dans les maladies du système nerveux central.
inferred← citeshttps://doi.org/10.70675/7a5ab808z21d6z4c80z991az6a8dd997eb12openalex-snapshot
A Catalytic Toolbox for Cyclopentane-Based Chemical Space : Innovations in Aza-Piancatelli Reaction, Sulfoximine Deprotection, and Reductive Heck Cascades
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