MolProphet Handbook
MolProphet is an online SaaS drug discovery and development collaborative platform that provides customers with industry-leading algorithms, computational resources, and one-stop new drug development services. It enables rapid identification of lead compounds and lead optimization, accelerating the transition from target discovery to drug candidate selection phase (PCC) in the drug development process
Pocket Discovery & Management Determining target crystal structures and defining specific pocket locations serve as the foundation for platform screening, generation, and design.
Structure Based Virtual Screen Screening potential active compounds based on target pockets, providing dozens of specialty compound libraries and various vendor libraries.
AI Based Molecule Generation De-novo design of synthetically accessible active molecules based on target pockets, providing complete molecular synthesis pathways.
Scaffold Hopping Optimizing new structures with high activity potential based on targets and known compounds, achieving skeleton transitions.
Fragment Optimization Optimizing known compounds based on targets, retaining core compound structures, and selectively enhancing activity and drug-likeness.
R-group Optimization Optimizing known compounds based on targets, selectively adjusting specified groups to enhance various drug-like properties.
AI Docking Utilizing AI-based Docking rapid scoring tools to assist in the quick analysis of compounds.
Ligand Based Virtual Screening Screening potential active compounds based on reference molecules, offering dozens of specialty compound libraries and various vendor libraries.
Analysis Tools Providing various perspectives such as drug-like property prediction, Complex structure prediction, Interaction prediction, prediction of key site binding affinity, risk structure discrimination, compound synthesis pathways, 3D similarity analysis, chemical space navigation, and molecular dynamics simulations to help you select high-quality compounds.