Computational tools for Pharmainformatics
Pharmainformatics plays an important role in Drug design. It includes various areas like Pharmacodynamics, pharmacokinetics, Computational Chemistry, Combinatorial Chemistry, ADME Informatics, Cheminformatics, Toxicology, Metabolic Modeling etc. Pharmacodynamics is the study of the biochemical and physiological effects of drugs on the body or on microorganisms or parasites within or on the body and the mechanisms of drug action and the relationship between drug concentration and effect. Pharmacokinetics is a branch of pharmacology dedicated to the determination of the fate of substances administered externally to a living organism. The principles of Pharmacokinetics and Pharmacodynamics are useful to decide the dosage regimen which have desired therapeutic response with minimum toxic effects.
Web Servers/Databases/Mirror Sites:
Free Available Software:
| Softwares |
Description |
| BiokmodWeb | contains some features of the Mathematica Tool BIOKMOD to be applied in pharmacokinetic |
| Biokmod | A Mathematica toolbox for solving system of differential equations, fitting coefficients, convolution, and more, with application for modeling |
| Boomer | a simulation and modeling program for pharmacokinetic and pharmacodynamic data analysis |
| CXT | a program for analysis of linear dynamic systems |
| Cyber PatientTM | Windows based multimedia pharmacokinetic (PK) simulation program |
| JGuiB | A GUI program written in Java is designed to work with Boomer |
| JPKD | clinical pharmacokinetic (CPK) services |
| mobilePK | |
Databases
Commercial Software
| Commercial Softwares |
Description |
| PKPD Software Server | Pharmacokinetics/Pharmacodynamics Software Server site. |
| acslXtreme | PK/PD ToolKit |
| Berkeley Madonna | Modelling and Analysis of Dynamic Systems |
| CalcuSyn | an analyzer of combined drug effects, able automatically to quantify phenomena such as synergism and inhibition. |
| DATAKINETICS | Pharmacokinetics Dosing program |
| Kinetica | fast high-throughput data analysis for clinical, preclinical, discovery, drug metabolism and drug delivery settings. |
| PDx-IVIVC | |
| PK Solutions | easy, interactive, comprehensive pharmacokinetic analysis |
| PK-Sim | |
| SAAM II | compartmental (differential equations) and numerical (algebraic equations) modeling program which can be used in the analysis of pharmacokinetic, pharmacodynamic and enzyme kinetic studies. |
Web Interface on Libraries:
