Research Articles
Navigating Activity Cliffs: Challenges and AI Solutions for Predictive Materials and Drug Discovery
This article provides a comprehensive examination of the activity cliff phenomenon, where minute structural changes in molecules cause significant property shifts, posing a major challenge for AI in materials and...
Generative AI in Materials Science: Future Directions for Next-Generation Discovery and Biomedical Innovation
This article explores the transformative future directions of generative artificial intelligence (AI) in materials science, with a specific focus on implications for researchers and drug development professionals.
Validating Catalytic Activity: A Comprehensive Guide to Multiple Turnover Experiments and Kinetic Profiling
This article provides a comprehensive framework for researchers, scientists, and drug development professionals to design, execute, and interpret multiple turnover experiments for robust validation of catalytic activity.
Thermodynamic vs Kinetic Stability: Mastering Control in Material Synthesis and Drug Development
This article provides a comprehensive analysis of thermodynamic and kinetic stability principles and their critical role in controlling material synthesis and performance.
Navigating Kinetic and Thermodynamic Control in Nanosynthesis: Principles, Applications, and Biomedical Frontiers
This review systematically examines the critical roles of kinetic and thermodynamic control in the rational design of nanomaterials.
Kinetic vs. Thermodynamic Control: A Strategic Framework for Optimized Synthesis in Drug Development
This article provides a comprehensive comparison of thermodynamic and kinetic synthesis approaches, tailored for researchers and drug development professionals.
Comparative Experimental and Kinetic Modeling of Isomer Oxidation: From Fundamental Chemistry to Engine Application
This article provides a comprehensive examination of the combustion characteristics of fuel isomers, with a specific focus on alcohol isomers like propanol and butanol.
Validating Thermodynamic Stability Through Phase Diagram Analysis: A Comprehensive Guide for Pharmaceutical Development
This article provides a comprehensive framework for employing phase diagram analysis to validate thermodynamic stability in pharmaceutical development.
Solving Time Zero Problems in Initial Rate Determination: A Guide for Robust Kinetic Analysis and Drug Development
Accurately determining the initial rate of a reaction is a critical, yet often problematic, step in chemical kinetics and drug development.
Strategies for Reducing Intraparticle Diffusional Limitations: From Catalyst Design to Enhanced Drug Delivery
This article provides a comprehensive analysis of intraparticle diffusion, a critical transport phenomenon that limits the efficiency of catalytic reactions and drug delivery systems.