Research Articles
AZlogD74: Unveiling the Model Powering Modern Drug Discovery
This article provides a comprehensive exploration of AstraZeneca's AZlogD74 model, a pivotal tool for predicting lipophilicity in drug discovery.
Isotropic vs Anisotropic Lipophilicity: A Comprehensive Guide for Drug Development
This article provides a thorough comparison of isotropic and anisotropic lipophilicity, two critical concepts in medicinal chemistry and drug design.
Lipophilicity in Uric Acid Lowering Drugs: A Comparative Analysis for Enhanced Drug Design and Development
This article provides a comprehensive comparative analysis of the lipophilicity of uric acid-lowering drugs, a critical physicochemical property governing their absorption, distribution, metabolism, elimination, and toxicity (ADMET).
RTlogD Model Performance: A Comprehensive Benchmarking Against Commercial LogD Prediction Tools
This article provides a rigorous performance evaluation of the novel RTlogD model, which enhances logD7.4 prediction by transferring knowledge from chromatographic retention time, microscopic pKa, and logP data.
Validating In Silico Lipophilicity Predictions: A Comprehensive Guide for Drug Discovery Scientists
Accurate prediction of lipophilicity, commonly measured as logP and logD, is crucial in drug discovery as it directly influences a compound's absorption, distribution, metabolism, and excretion (ADME).
Beyond Rule of Five: A Strategic Guide to Optimizing TPSA/MW Ratio for Oral Drug Candidates
This article provides a comprehensive guide for researchers and drug development professionals on optimizing the Topological Polar Surface Area to Molecular Weight (TPSA/MW) ratio for beyond Rule of Five (bRo5)...
Chromatographic vs Computational logP Determination: A Comprehensive Guide for Drug Development
Lipophilicity, quantified as logP, is a critical physicochemical parameter influencing the absorption, distribution, metabolism, and toxicity of drug candidates.
Navigating the Lipophilicity-Promiscuity Nexus: Strategies for Optimizing Drug Safety and Efficacy
This article provides a comprehensive analysis of the critical relationship between high lipophilicity and target promiscuity in small-molecule drug discovery.
Lipophilic Conjugates in Drug Development: Strategies to Enhance Pharmacokinetic Profiles and Therapeutic Efficacy
This article provides a comprehensive review of lipid-drug conjugates (LDCs) as a transformative strategy for optimizing the pharmacokinetic and therapeutic profiles of active pharmaceutical ingredients.
Balancing Lipophilicity and Polar Surface Area: A Strategic Framework for Optimizing Drug Bioavailability
This article provides a comprehensive guide for researchers and drug development professionals on the critical interplay between lipophilicity and polar surface area (PSA) in drug design.