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Integrated
Computational Chemistry System "MOE"
A comprehensive software system addressing the needs of
today's research disciplines including bioinformatics,
cheminformatics, protein modeling, structure-based design,
high throughput discovery and molecular modeling and simulations.
PSILO: A repository for protein-ligand structural information
PSILO is a database system that provides an easily accessible, consolidated repository for macromolecular and protein-ligand structural information. A web-based interface facilitates the searching and accessing of public and private structural data.
Target Protein Mining System Based on Molecular Surface Analysis "MED-SuMo"
MED-SuMo exploits the target proteins that have the similar binding sites with detecting the similarities in the surface of molecules at PDB scale.
In Silico Drug Discovery
Tools "BioSolveIT Software"
BioSolveIT tools for fuzzy similarity searching, fragment-based de
novo design and high quality molecular alignments
assist researchers in their drug-discovery and target validation
projects.
Integrated Data Mining System "InforSense"
An Analytical platform with intuitive workflow technology
to integrate and share all researcher's tools, data and
knowledge for higher research efficiency.
Chemical Information Systems "Daylight"
Powerful toolkits, programs and database packages to build
scalable and flexible cheminformatics system.
High-Throughput Repurposing
System "BioEpisteme"
Web-based system to predict mechanism of action, from biomedical
knowledge for drug discovery.
Statistical Analysis & Interactive
Visualization Software "Partek"
A comprehensive suite of advanced statistics and interactive
data visualization specifically designed to exemplify what
the data is saying.
Research Information Management
System for Drug Discovery "CBIS"
Web-based system to manage and share all kinds of research
information for drug discovery.
Collaborative Intranet Software
for Biological Research "LabCollector"
Real Collaborative information and inventory management
tool running onintranet, developed especially for molecular
biology laboratories.
Protein-Protein Interaction
Database "NetPro"
A comprehensive database of Protein-Protein and Protein-Small
molecules interaction.
QSAR models for the prediction of
ADME-Tox properties "MolCode ToolBox"
Molcode Toolbox predicts physicochemical/biological properties,
ADME-Tox
properties, ecological pathways/ecotoxicity and
adverse drug effects.
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Materials Design Software "MedeA"
An unified environment integrated experimental databases,
ab initio simulation programs, and convenient analysis
tools for investigating solid state materials.
Multi-Scale Molecular Modeling
Software for Material Science "SciMAPS"
SciMAPS is a flexible and customizable molecular modeling
environment to easily build and study models of molecular
structures, using the best simulation technology appropriate
for your R&D questions.
Chemistry Unified Language Interface "CULGI"
CULGI is a multi-functional chemistry simulation platform for soft matter research,
providing modeling and simulation algorithms covering a range of length and time scales.
Thermodynamics Properties
Prediction Software
"COSMOtherm"
COSMOtherm is a program for the quantitative calculation
of solvation mixture thermodynamics based on quantumchemistry/COSMO
results.
Accurate Force Field and
Its Development Tools
"Direct Force Field"
Direct Force Field is novel molecular modeling software
that provides high quality ab initio force field parameters
with unlimited coverage and its development tools.
Statistical Analysis Software
for Quantitative Structure-Property Relationships "CODESSA"
CODESSA is a chemical multi-purpose Quantitative Structure-Activity
and Structure-Property (QSAR/QSPR) statistical analysis
and predictions program.
Quantum Chemistry and Physics
Software
"ADF", "Gaussian/GaussView", "Molpro", "TURBOMOLE", "MOPAC2009", "PQS
ab initio program"
A variety of Quantum Chemistry/Physics software for widely
extended R&D targets.
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Software for Solving Complex Chemical
Kinetics Problems "CHEMKIN"
CHEMKIN is a powerful set of software tools for solving complex chemical
kinetics problems based on elementary reactions.
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Science and Technology System Division
Computational Science Department
| Phone | ：+81-3-3553-9206 |
| FAX |
：+81-3-3553-9207 |
| E-mail |
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Science and Technology System Division
Image Informatics Department
| Phone | ：+81-3-3553-6044 |
| E-mail |
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