Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets... In view of this global epidemic, there is an urgent need to facilitate fast and efficient lead identification methodologies....
Finding the structural requirements of diverse hiv-1 protease inhibitors using multiple qsar modelling for lead identificationMultiple Quantitative Structure-Activity Relationship (QSAR) analysis is widely used in drug discovery for lead identification....
Lead identification of ß-lactam and related imine inhibitors of the molecular chaperone heat shock protein 90... Heat shock protein 90 inhibitors have huge structural diversity, and here we present the lead identification of novel inhibitors based on β-lactam and imine templates....
1,2,4-triazolyl 5‑azaspiro[2.4]heptanes: lead identification and early lead optimization of a new series of potent and selective dopamine d3 receptor antagonists...described.Some of these compounds also have high selectivity over the hERG channeland were characterized with respect to their pharmacokinetic propertiesboth in vitro and in vivo during lead identification and early leadoptimization phases....
