Hello administrator, I am a new user of MSDIAL, and I want to know how to built database for analyse in MS-DIAL? At present, I know that our database should be in MSP format, but how to generate files in MSP format? And what information is needed? How should the information be arranged? I did not find the corresponding template file. By now,the information I have in hand is the MOL structure file and SMILES of compounds. Is this information enough to build a database for analysis? I am looking forward to your reply and help, thank you!!!
