Archive for January, 2008

  • Prediction of toxic properties of small drug like molecules is a big challenge both from theoretical and practical points of view. Quantitatively people use different measures of toxicity such as [...]

    LD50 vs. MRDD: what’s death for a mice is good enough for a man

    Prediction of toxic properties of small drug like molecules is a big challenge both from theoretical and practical points of view. Quantitatively people use different measures of toxicity such as [...]

    Continue Reading...

  • QUANTUM hERG (q-hERG) screening assays is a unique and innovative computational approach, which allows you to predict  from a molecule structures of compounds their inhibition constants (IC50) for hERG [...]

    q-hERG: QUANTUM’s innovative approach to hERG binding calculations is finally released

    QUANTUM hERG (q-hERG) screening assays is a unique and innovative computational approach, which allows you to predict from a molecule structures of compounds their inhibition constants (IC50) for hERG [...]

    Continue Reading...

  • Quantum Pharmaceuticals has recently completed development of its in-house HERG-protein binding model. Since there is no 3D structure of HERG-protein available, the calculations envolved a number of fits and model [...]

    HERG binding prediction quality: q-HERG model vs. experiments

    Quantum Pharmaceuticals has recently completed development of its in-house HERG-protein binding model. Since there is no 3D structure of HERG-protein available, the calculations envolved a number of fits and model [...]

    Continue Reading...

  • Druglikeness is a qualitative concept used in drug design for an estimate on how “druglike” a prospective compound is. Usually it is estimated from the molecular structure, often even before [...]

    Drug likeness: what do bioavailability and toxicity properties tell us about druglikeness?

    Druglikeness is a qualitative concept used in drug design for an estimate on how “druglike” a prospective compound is. Usually it is estimated from the molecular structure, often even before [...]

    Continue Reading...

Get Adobe Flash playerPlugin by wpburn.com wordpress themes