A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy

Machine learning for the prediction of molecular dipole moments obtained by density functional theory

In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs

A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel KV1.3 Inhibitors

Estimation of Mayr Electrophilicity with a Quantitative Structure- Property Relationship Approach Using Empirical and DFT Descriptors

MOLinsight: A Web Portal for the Processing of Molecular Structures by Blind Students