We use molecular modeling technology to better understand the structure of the molecule. Armed with more knowledge of its structure and interaction with the target, we can improve the design and optimization of drug in efficient way.
The small molecules databases conclude millions of small molecules compounds, including FDA proved drugs and other bioactivity compounds. The small molecules databases can provide the bioactivity information of each compounds.
The pharmacology associated databases can provide the standardize activities between different publications, impact of genetic variation on drug response and adverse drug reactions.
The protein target databases can provide the information of targets and activity sites for certain diseases. The protein target databases also can display the sequence of the proteins.
The pathway databases can provide the information of molecular interactions and reactions that take place in cells.