Research Articles
Optimizing Binding Affinity and Selectivity: A Strategic Guide for Drug Discovery Scientists
This article provides a comprehensive framework for researchers and drug development professionals to optimize the critical parameters of binding affinity and selectivity in lead compounds.
Balancing Lipophilicity in Drug Candidates: A Comprehensive Guide to Optimizing ADMET Properties and Therapeutic Efficacy
This article provides a comprehensive overview of the critical role of lipophilicity in modern drug discovery and development.
Comparative ADMET Profiling of Analogs: Strategies for Lead Optimization in 2025
This article provides a comprehensive guide for researchers and drug development professionals on the strategic application of comparative ADMET profiling for analog series.
Bridging the Gap: A Comprehensive Guide to In Vitro-In Vivo Correlation (IVIVC) Methods in Modern Drug Development
This article provides a comprehensive overview of In Vitro-In Vivo Correlation (IVIVC) methodologies, essential for predicting the in vivo performance of drug products based on in vitro data.
Validating AI in Drug Discovery: A Framework for Robustness, Regulatory Compliance, and Clinical Success in 2025
This article provides a comprehensive guide for researchers and drug development professionals on validating artificial intelligence (AI) models in drug discovery.
From Hit to Candidate: A Strategic Framework for Lead Optimization in Drug Discovery
This article provides a comprehensive comparative analysis of the lead optimization (LO) stage in drug discovery, a critical phase following hit identification.
Structure-Based vs. Ligand-Based Drug Design: A Strategic Guide for Researchers
This article provides a comprehensive analysis of the two primary computational approaches in modern drug discovery: structure-based drug design (SBDD) and ligand-based drug design (LBDD).
Target Product Profile vs. Actual Profile: A Strategic Framework for Drug Development Success
This article provides a comprehensive analysis of the Target Product Profile (TPP) as a strategic tool in drug development, contrasting its intended role with the realities of its application and...
Comparative Drug Efficacy Studies: Methods, Applications, and Future Directions for Research
This article provides a comprehensive overview of the evolving landscape of comparative drug efficacy studies for researchers and drug development professionals.
A Practical Guide to QSAR Model Validation: From Foundational Principles to Advanced Applications in Drug Discovery
This comprehensive guide addresses the critical challenge of validating Quantitative Structure-Activity Relationship (QSAR) models to ensure reliable predictions in drug discovery and chemical safety assessment.