A software to perform virtual screening using AutoDock Vina.
A software to calculate pharmacodynamics, pharmacokinetics and toxicological properties of compounds.
A software to calculate molecular descriptors and fingerprints. The software currently calculates 1875 descriptors (1444 1D, 2D descriptors and 431 3D descriptors) and 12 types of fingerprints (total 16092 bits).
Alerts Based on ADRs' Causality and Severity (ABACUS). A combined system for identification and classification of adverse drug reactions.
A decision support tool to guide clinical decision making on the appropriateness of re-introducing a chemotherapeutic agent following the confirmatory association between the drug and the occurrence of a serious ADR.
A clinical decision support tool to predict survival in cancer patients beyond 120 days after palliative chemotherapy.
A MZmine plugin for a fully automated iterative moving averaging (AIMA) technique for base-line correction.
A RapidMiner plugin for a fully automated and computationally efficient Pearson's correlation change classification approach for GC/MS metabonomic data.
A portable software for encrypting and decrypting files. The encrypted files are stored in a vault and can only be viewed and decrypted using a correct password. The main intended use of PaDEL-Crypt is to encrypt files in portable devices like flash drives or portable hard disks.