Fragment Libraries

Fragments are still in high demand and would stay for at least 3-5 years. It is quite easy and fast to create few fragments libraries, e.g.: General Fragments (MW ≤ 300, ClogP ≤ 3, HbD ≤ 3, undesired functionalities removed), Fluorinated Fragments (for NMR screening), Golden set (Ro3 & Veber rules, PAINS + Lilly MedChem Rules applied, solubility prediction or better if you have some cmpds with already experimentally measured solubility in water-DMSO solution), Diverse Fragment Library (-//-, diversity within Tanimoto method < 80 %).

More information and examples can be found from the downloaded files:

PBMR Fluorine Fragment

PBMR Fsp3 enriched

PBMR General Fragment