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The Rule of Five Revisited: Applying Log D in Place of Log P in Drug-Likeness Filters
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Cheminformatic Tools for Medicinal Chemists
inferred← citeshttps://doi.org/10.1021/jm500940qopenalex-snapshot
Synthesis and Pharmacological Evaluation of 5-Pyrrolidinylquinoxalines as a Novel Class of Peripherally Restricted κ-Opioid Receptor Agonists
inferred← citeshttps://doi.org/10.1021/mp300502mopenalex-snapshot
Establishing the Pharmaceutical Quality of Chinese Herbal Medicine: A Provisional BCS Classification
inferred← citeshttps://doi.org/10.1021/mp500025eopenalex-snapshot
Flash Nanoprecipitation: Prediction and Enhancement of Particle Stability via Drug Structure
inferred← citeshttps://doi.org/10.1021/np200687vopenalex-snapshot
Drug-like Properties: Guiding Principles for the Design of Natural Product Libraries
inferred← citeshttps://doi.org/10.1021/tx4001557openalex-snapshot
Anionic Phenolic Compounds Bind Stronger with Transthyretin than Their Neutral Forms: Nonnegligible Mechanisms in Virtual Screening of Endocrine Disrupting Chemicals
inferred← citeshttps://doi.org/10.1038/ncomms11221openalex-snapshot
Augmenting drug–carrier compatibility improves tumour nanotherapy efficacy
inferred← citeshttps://doi.org/10.1038/s41386-023-01725-xopenalex-snapshot
Antidepressants enter cells, organelles, and membranes
inferred← citeshttps://doi.org/10.1038/s41597-022-01814-4openalex-snapshot
SOMAS: a platform for data-driven material discovery in redox flow battery development
inferred← citeshttps://doi.org/10.1038/s41598-021-90035-7openalex-snapshot
Antibacterial activity and mechanism of plant flavonoids to gram-positive bacteria predicted from their lipophilicities
inferred← citeshttps://doi.org/10.1038/s41598-025-01672-1openalex-snapshot
GCMS analysis and acaricidal activity of Ailanthus altissima extract against cattle tick Rhipicephalus (Boophilus) microplus and Hyalomma anatolicum: in vitro and in silico approach
inferred← citeshttps://doi.org/10.1038/s41598-025-20757-5openalex-snapshot
Pharmacokinetic, docking, and DFT analyses reveal Moringa oleifera phytochemicals as inhibitors of HIF-1α/VEGF/GLUT1 signaling pathway in breast cancer
inferred← citeshttps://doi.org/10.1038/srep09325openalex-snapshot
Clustered Distribution of Natural Product Leads of Drugs in the Chemical Space as Influenced by the Privileged Target-Sites
inferred← citeshttps://doi.org/10.1039/9781839160233-00251openalex-snapshot
Machine Learning and Scoring Functions (SFs) for Molecular Drug Discovery: Prediction and Characterisation of Druggable Drugs and Targets
inferred← citeshttps://doi.org/10.1039/c2ob00029fopenalex-snapshot
Design and synthesis of screening libraries based on the muurolane natural product scaffold
inferred← citeshttps://doi.org/10.1039/c3ra42347fopenalex-snapshot
A comparative study of the molecular structure, lipophilicity, solubility, acidity, absorption and polar surface area of coumarinic anticoagulants and direct thrombin inhibitors
inferred← citeshttps://doi.org/10.1039/c8md00472bopenalex-snapshot
ADMET-score – a comprehensive scoring function for evaluation of chemical drug-likeness
inferred← citeshttps://doi.org/10.1039/d3dd00186eopenalex-snapshot
Progress and future of the computational design of antimicrobial peptides (AMPs): bio-inspired functional molecules
inferred← citeshttps://doi.org/10.1039/d5dt03032copenalex-snapshot
Integrating experimental and theoretical approaches to unveil structure–bioactivity relationships in silver( i ) N -substituted glycine complexes
inferred← citeshttps://doi.org/10.1051/bioconf/202412201008openalex-snapshot
l-Carvone – prediction of potential absorption, distribution, metabolism and excretion
inferred← citeshttps://doi.org/10.1073/pnas.2014058117openalex-snapshot
Design of a multivalent bifunctional chelator for diagnostic 64 Cu PET imaging in Alzheimer’s disease
inferred← citeshttps://doi.org/10.1080/00498254.2022.2130838openalex-snapshot
A commentary on the use of pharmacoenhancers in the pharmaceutical industry and the implication for DMPK drug discovery strategies
inferred← citeshttps://doi.org/10.1080/03639045.2023.2301478openalex-snapshot
Revisiting the significance of nano-vitamin D for food fortification and therapeutic application
inferred← citeshttps://doi.org/10.1080/07391102.2017.1384402openalex-snapshot
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay
inferred← citeshttps://doi.org/10.1080/07391102.2021.1972841openalex-snapshot
Rutaretin1′-(6″-sinapoylglucoside): promising inhibitor of COVID 19 mpro catalytic dyad from the leaves of Pittosporum dasycaulon miq (Pittosporaceae)
inferred← citeshttps://doi.org/10.1080/07391102.2023.2259488openalex-snapshot
Design of prodrug for stereoisomers of omapatrilat to cross the blood-brain barrier using docking, homology modeling, MD, and QM/MM methods
inferred← citeshttps://doi.org/10.1080/07391102.2026.2634090openalex-snapshot
In-silico interaction of molecules from Foeniculum vulgare methanolic seed extract with conserved RNA binding residues of NS3 protein of Dengue virus
inferred← citeshttps://doi.org/10.1080/14756366.2017.1347784openalex-snapshot
Design and synthesis of benzopyran-based inhibitors of the hypoxia-inducible factor-1 pathway with improved water solubility
inferred← citeshttps://doi.org/10.1080/15563650.2023.2263638openalex-snapshot
Comment on “lipid emulsion therapy during management of the critically-ill poisoned patient: a prospective cohort study”
inferred← citeshttps://doi.org/10.1080/15563650.2023.2276669openalex-snapshot
Response to Ok S-H, Wiedmer SK, Sohn J-T. Comment on “Lipid emulsion therapy during management of the critically-ill poisoned patient: a prospective cohort study”
inferred← citeshttps://doi.org/10.1085/jgp.201812263openalex-snapshot
Antidepressants are modifiers of lipid bilayer properties
inferred← citeshttps://doi.org/10.1089/adt.2020.970openalex-snapshot
A Fully Integrated Assay Panel for Early Drug Metabolism and Pharmacokinetics Profiling
inferred← citeshttps://doi.org/10.1089/jop.2011.0097openalex-snapshot
Comparison of Human Ocular Distribution of Bimatoprost and Latanoprost
inferred← citeshttps://doi.org/10.1111/cbdd.70080openalex-snapshot
The Nature of Nanodisc Lipids Influences Fragment‐Based Drug Discovery Results
inferred← citeshttps://doi.org/10.1111/j.1751-1097.2011.00971.xopenalex-snapshot
A Hand‐held Fiber‐optic Implement for the Site‐specific Delivery of Photosensitizer and Singlet Oxygen
inferred← citeshttps://doi.org/10.1111/php.13304openalex-snapshot
Fatty Acid Conjugates of Toluidine Blue O as Amphiphilic Photosensitizers: Synthesis, Solubility, Photophysics and Photochemical Properties†
inferred← citeshttps://doi.org/10.1111/php.13799openalex-snapshot
New Hybrid Compound Candidate as Photothermal Agent Based on DPP Derivatives and Toluidine Blue: A Theoretical Perspective
inferred← citeshttps://doi.org/10.1128/aac.02424-17openalex-snapshot
Prediction Model for Antimalarial Activities of Hemozoin Inhibitors by Using Physicochemical Properties
inferred← citeshttps://doi.org/10.1134/s1068162024010199openalex-snapshot
Synthesis and Anti-Mycobacterium Activity of Some New N-Rich Heterocyclic Derivatives and Their Molecular Docking, and DFT Studies
inferred← citeshttps://doi.org/10.1155/2013/517638openalex-snapshot
Antibacterial Derivatives of Ciprofloxacin to Inhibit Growth of Necrotizing Fasciitis Associated Penicillin Resistant Escherichia coli
inferred← citeshttps://doi.org/10.1155/2015/216375openalex-snapshot
Nanosuspension Technologies for Delivery of Poorly Soluble Drugs
inferred← citeshttps://doi.org/10.1155/bmri/5076755openalex-snapshot
Synthesis, Characterization, Antimicrobial Activity, Docking, and In Silico ADMET Analysis of Some New 2,3‐Dihydrobenzo[b][1,4]thiazepine Derivatives
inferred← citeshttps://doi.org/10.1177/1087057108327326openalex-snapshot
PDMS Compound Adsorption in Context
inferred← citeshttps://doi.org/10.1186/s13321-023-00754-4openalex-snapshot
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
inferred← citeshttps://doi.org/10.1208/s12249-008-9071-7openalex-snapshot
Effect of Drug Lipophilicity and Ionization on Permeability Across the Buccal Mucosa: A Technical Note
inferred← citeshttps://doi.org/10.1210/en.2013-1334openalex-snapshot
Growth Hormone Secretagogues Exert Differential Effects on Skeletal Muscle Calcium Homeostasis in Male Rats Depending on the Peptidyl/Nonpeptidyl Structure
inferred← citeshttps://doi.org/10.1371/journal.pone.0012168openalex-snapshot
Palmitic Acid Analogs Exhibit Nanomolar Binding Affinity for the HIV-1 CD4 Receptor and Nanomolar Inhibition of gp120-to-CD4 Fusion
inferred← citeshttps://doi.org/10.1515/jcim-2024-0176openalex-snapshot
In-silico screening of bioactive compounds of Moringa oleifera as potential inhibitors targeting HIF-1α/VEGF/GLUT-1 pathway against breast cancer
inferred← citeshttps://doi.org/10.1517/17460441.2013.815613openalex-snapshot
Predictive approaches to increase absorption of compounds during lead optimisation
inferred← citeshttps://doi.org/10.1517/17460441.3.8.853openalex-snapshot
Virtual screening of the estrogen receptor
inferred← citeshttps://doi.org/10.15406/japlr.2016.03.00066openalex-snapshot
Conventional Concept of Formulations of Nanosuspensions
inferred← citeshttps://doi.org/10.21203/rs.3.rs-8087188/v1openalex-snapshot
Discovery of Tetrahydropteridin Analogs as Ferroptosis Inhibitors via Combined Theoretical and Experimental Approaches
inferred← citeshttps://doi.org/10.2147/dddt.s83213openalex-snapshot
Applications of calixarenes in cancer chemotherapy: facts and perspectives
inferred← citeshttps://doi.org/10.2147/ijn.s168310openalex-snapshot
Facilitated permeation of insulin across TR146 cells by cholic acid derivatives-modified elastic bilosomes
inferred← citeshttps://doi.org/10.2174/0115672050323622240705043337openalex-snapshot
Comprehensive Investigation of Natural Ligands as Inhibitors of β Secretase to Identify Alzheimer’s Disease Therapeutics
inferred← citeshttps://doi.org/10.2174/0115734099287118240102112337openalex-snapshot
Identification of Novel Marine Bioactive Compound as Potential Multiple Inhibitors in Triple-negative Breast Cancer - An in silico Approach
inferred← citeshttps://doi.org/10.2174/1573406419666230703114605openalex-snapshot
Calixarenes and their Relevance in Anticancer Drug Development
inferred← citeshttps://doi.org/10.2174/1871524922666220429115124openalex-snapshot
Biomedical Applications of Polyurethane Hydrogels, Polyurethane Aerogels, and Polyurethane-graphene Nanocomposite Materials
inferred← citeshttps://doi.org/10.2174/2468187312666211222123307openalex-snapshot
The Emerging Role of Nanosuspensions for Drug Delivery and Stability
inferred← citeshttps://doi.org/10.26508/lsa.201800098openalex-snapshot
An integrative machine learning approach for prediction of toxicity-related drug safety
inferred← citeshttps://doi.org/10.31482/mmsl.2015.011openalex-snapshot
ACID DISSOCIATION CONSTANTS AND MOLECULAR DESCRIPTORS OF SOME XYLENE LINKED BISPYRIDINIUM OXIMES
inferred← citeshttps://doi.org/10.3389/fddsv.2025.1674289openalex-snapshot
On the biologically relevant chemical space: BioReCS
inferred← citeshttps://doi.org/10.3389/fnut.2022.857256openalex-snapshot
Carvacrol Arrests the Proliferation of Hypopharyngeal Carcinoma Cells by Suppressing Ornithine Decarboxylase and Hyaluronidase Activities
inferred← citeshttps://doi.org/10.3390/app15158350openalex-snapshot
Insight into the in Silico Structural, Physicochemical, Pharmacokinetic and Toxicological Properties of Antibacterially Active Viniferins and Viniferin-Based Compounds as Derivatives of Resveratrol Containing a (2,3-Dihydro)benzo[b]furan Privileged Scaffold
inferred← citeshttps://doi.org/10.3390/biom11010033openalex-snapshot
Synthesis and Antiplasmodial Activity of Novel Bioinspired Imidazolidinedione Derivatives
inferred← citeshttps://doi.org/10.3390/ijms21103626openalex-snapshot
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds
inferred← citeshttps://doi.org/10.3390/molecules22071058openalex-snapshot
Influence of Pyranose and Spacer Arm Structures on Phloem Mobility and Insecticidal Activity of New Tralopyril Derivatives
inferred← citeshttps://doi.org/10.3390/molecules23040778openalex-snapshot
Synthesis of Novel Amino Acid–Fipronil Conjugates and Study on Their Phloem Loading Mechanism
inferred← citeshttps://doi.org/10.3390/molecules25184121openalex-snapshot
Biological Activities and ADMET-Related Properties of Novel Set of Cinnamanilides
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