Phase

A high-performance program for ligand-based drug design
Phase is a complete package of pharmacophore modeling tools that offers scientists an unparalleled level of control at each step. Fast, accurate, and highly configurable, Phase is a powerful tool for hit generation and lead hopping.

• Expert levels of control: Phase distinguishes itself from "black box" software by allowing users to exercise precise control over job settings at all steps, including pharmacophore scoring, QSAR building, and database screening.
• Universal applicability: While Phase is well suited to drug discovery projects for which no receptor structure is available, it also allows pharmacophores to be constructed with the aid of a crystal structure.
• Custom feature definitions: Phase locates features using SMARTS pattern matching, making it easy to modify existing feature definitions and to create entirely new custom features. Intuitive visualization tools and the rapid location of sites help researchers fine-tune feature definitions.
• Excluded volumes: Once a pharmacophore model has been developed, researchers may define regions of space that are presumed to be occupied by the receptor, and therefore off-limits to any ligand.
• Efficient database management: Phase uses Schrödinger's ConfGen for extremely rapid and thorough sampling of conformational space, and allows researchers to simultaneously create a 3D database from a structure library while searching it for hits.