The integration of early ADMET (absorption, distribution, metabolism, excretion and toxicity)
profiling, or simply prediction, of'lead'molecules to speed-up the'lead'selection further for …

The method MARCH-INSIDE (MARkovian CHemicals IN SIlico DEsign) is a simple but
efficient computational approach to the study of Quantitative Structure-Activity Relationships …

Computational methods to predict molecular properties regarding safety and toxicology
represent alternative approaches to expedite drug development, screen environmental …

Several pathogen parasite species show different susceptibilities to different antiparasite
drugs. Unfortunately, almost all structure-based methods are one-task or one-target …

There are many of pathogen parasite species with different susceptibility profile to
antiparasitic drugs. Unfortunately, almost QSAR models predict the biological activity of …

The emergence of drug‐resistant bacteria threatens to revert humanity back to the
preantibiotic era. Even now, multidrug‐resistant bacterial infections annually result in …

One limitation of almost all antiviral Quantitative Structure–Activity Relationships (QSAR)
models is that they predict the biological activity of drugs against only one species of virus …

There are many pathogen microbial species with very different antimicrobial drugs
susceptibility. In this work, we selected pairs of antifungal drugs with similar/dissimilar …

Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives to fight
against the diverse infections caused by different pathogenic microorganisms. In this …

Introduction: Drug discovery is the process of designing new candidate medications for the
treatment of diseases. Over many years, drugs have been identified serendipitously …