The ever increasing amount of data and computational capabilities in the cheminformatics field has led to a scenario where efficient techniques for storage and processing in an integrated, modular, and easily accessible platform are in vital demand. Here, we present ChemicalToolBoX, a compilation of more than 30 tools integrated into a single computational chemistry and cheminformatics platform...

In this paper we discuss the structural chemistry of (PPh(4))(2)M(WS(4))(2) (M = Co, Ni, Zn) materials. For M = Ni we and others have been unable to grow single crystals and we report the structure determination from powder diffraction. The material is triclinic (P1, a = 9.3730(2), b = 12.4951(3), c = 12.5189(3) A, alpha = 65.814(1), beta = 83.751(1), gamma = 69.571(1) degrees at T = 293 K). It...

The first compound reaching the market following the approval of the official offices is referred to as first-inclass or breakthrough drug. These compounds constitute a new class of drugs meaning that they introduce a novel mode of action (MoA) or provide a significant improvement over the standard therapy, if not enables a therapy, in terms of efficacy and safety. A follow-on (or me-too) drug ...