Software

AKos
Consulting & Solutions GmbH
a chemoinformatics company

Software
AKos GmbH markets software for several companies. All the software enhance each other and there are no competitive products.
Molegro	Modeling software: Molegro Virtual Docker is an integrated platform for predicting protein - ligand interactions. Molegro Virtual Docker handles all aspects of the docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity. The Molegro Virtual Docker (MVD) has been shown to yield higher docking accuracy than other state-of-the-art docking products (MVD: 87%, Glide: 82%, Surflex: 75%, FlexX: 58%). Molegro Data Modeller is a cross-platform application for Data Mining, Data Modelling, and Data Visualization. The highly interactive user interface is ideal for fast and intuitive data exploration, as opposed to complex workflow based solutions or command-driven statistical products.	Molegro Virtual Docker Molegro Data Modeller Molegro Molecular Viewer Molegro Virtual Grid
PASS	PASS predicts with high accuracy (70-80%) up to 3000 biological activities for your compounds. As input you only need the 2D structure. This is one of the most successful programs giving you early indications if your compounds might be useful.	PASS
AKos GmbH	AKos GmbH is developing and providing: Personal Chemistry Client (PCC) - a software to search browse and print data from SDFiles. It is free! CWM Lead Finder - a further development using PASS to predict with minimum user interaction highly accurate new leads. CWM Global Search - the allows you to search over many millions of compounds on the Internet. SDFile Viewer - this is a small utility to view SDFiles or other very large files. You cannot open such large files in Notepad. This tool was provided by Dr. Peter Zbinden.	PCC CWM Lead Finder CWM Global Search SDFile Viewer
CompuDrug	ADME and evaluation and prediction by Pallas Rule of Five evaluation Predicting metabolism pathways in humans, animals, and plants Estimating toxic symptoms of organic compounds in humans and animals logP, pKa, logD calculation Prodrug design by RetroMex of Pallas Emil serendipity enhancer and knowledge base management Identifying potential false positive compounds at cell based high, medium and low throughput screening assays by ToxAlert of Pallas Lead Optimization Emil serendipity enhancer and knowledge base management Lost the in vitro activity in vivo? MexAlert of Pallas identifies first pass effect. For the analytical lab Method development and optimization for HPLC techniques by Eluex For agrochemical research: Light stability prediction of agrochemical candidates by the Agro version of Pallas Metabolexpert.	CompuDrug
SciGlass
Mat Port	MSIT is a database of evaluated phase diagrams.	MatPort
Elsevier Information Systems GmbH	CrossFire Beilstein, CrossFire Gmelin, Patent Chemistry Database, xPharm, PharmaPendium, Commander, Autonom are distributed not any longer be AKos GmbH.