Patent ID: 8392166

Claim:
A computer-implemented method for providing an abbreviated profile of a drug compound in a numerical representation to aid in drug design, said method comprising steps of: (i) defining a set of chemical, biological, and pharmacokinetic property parameters, wherein the set comprises molecular weight (W), hydrogen-bond acceptors (R), hydrogen-bond donors (G), octanol-water partition coefficient (L), and comprehensive polar surface area (S); (ii) obtaining, for one or more drug compounds, values associated with each of the property parameters and setting an upper and lower limit for each of said values; (iii) determining, for one or more drug compounds, a set of normalized values for each property parameter by dividing the values associated with each of the property parameters by its upper limit and multiplying the resulting number by ten; (iv) determining, for one or more drug compounds, a set of abbreviated profile of drug compound (A-POD) values associated with each of the property parameters by rounding off the normalized values to the lowest integer, wherein the integers are between 0 and 9; (v) generating, for one or more drug compounds, a numerical representation of the A-POD values associated with each of the property parameters defined as A-POD(X:WRGLS), wherein X represents the name of the drug, wherein W corresponds to the A-POD value associated with molecular weight; R corresponds to the A-POD value associated with hydrogen-bond acceptors; G corresponds to the A-POD value associated with hydrogen-bond donors; L corresponds to the A-POD value associated with octanol-water partition coefficient; and S corresponds to the A-POD value associated with comprehensive polar surface area; and (vi) displaying, for one or more drug compounds, the numerical representation of said A-POD values on a two-dimensional graph, wherein the A-POD values are displayed on the y-axis and the property parameters are displayed on the x-axis; wherein steps (i)-(vi) are performed on a suitably programmed computer.