serviceIn silico Drug Discovery Support Service

Drug development related products utilizing AI and big data technology, in silico consignment projects and strategic consulting services.

* Kyoto Constella Technologies will continue to provide it’s services as INTAGE Healthcare.

Deep Quartet

ACISS -Affinity-Constella In Silico Support-

The AI drug discovery platform Deep Quartet uses "Deep Reinforcement Learning" technology to generate new structures. It is a practical AI approach in molecular design combined with the utility of pharmacophore models and machine learning techniques.

In silico Drug Discovery Support Service

ACISS -Affinity-Constella In Silico Support-

ACISS (Affinity-Constella In Silico Support) service is a contract research / analysis service provided by INTAGE Healthcare Co., Ltd. In collaboration with other companies, having the aim of supporting computational science in pharmaceutical and other related fields (agricultural chemicals, cosmetics, foods, etc.). We support total R & D with outstanding cost-effectiveness based on various in silico screening approaches, compound structure optimization, generation of new compound structure by de novo design.

CGBVS Based Rapid Compound Screening System

CzeekS - for Virtual Screening -

The CGBVS method (Chemical Genomics-Based Virtual Screening), which is developed by researchers at Kyoto University, is a method based on machine learning that employs large-scale binding patterns extracted from interaction data (chemical genomics information) between proteins (biological space) and compounds (chemical space) to create prediction models that enable discovery of novel active compounds.

By employing the rapid compound screening system, “CzeekS”, to implement the CGBVS method, pharmaceutical companies and research institutes can effectively utilize their accumulated experimental data to build their own prediction models. Using the CzeekS system makes it possible to construct prediction models by machine learning, as well as, perform fast and accurate in silico screening of drug candidate compounds, target profiling, compound structure scoring in de novo design, and other related calculations.


De novo Compound Design System Utilizing Optimization Algorithms

CzeekD - for de novo Design -

CzeekD is a de novo design technology created to support medicinal chemists. It enables the design of compound structures through the combination of fragment-based compound generation using the RECAP method (Retrosynthetic Combinatorial Analysis Procedure), the CGBVS method and compound optimization techniques such as GA (Genetic Algorithms) and PSO (Particle Swarm Optimization). Design of new compounds, as well as, side chain conversion from initial structures (core structure) can be performed. This de novo design technique is the result of joint research with Kyoto University and has been granted a patent [Patent No. 5946045].

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Generation of Virtual Compound Structures

ReCGen - Refined Compound Generator -

ReCGen is software that provides a novel structure generation technology based on ECFP fragments. Compared with the RECAP method, it is possible to generate highly novel compound structures and generate precise structural changes and structures around a reference compound. The generated compound strictures can then be used on a variety of screening methods to predict activity.

In silico Drug Discovery Strategy Consulting

We offer consulting on in silico drug discovery strategy with regards to introduction of in silico drug discovery technology into the company or the application of in silico technology in the company’s drug discovery projects based on existing conditions. After a thorough discussion with clients, we propose the optimal strategy with consideration of our local and international technological networks. Please contact us for more details.


Inquiries about any of the above services can be done through the link below.

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