Deep Data

Deep Services

Precisely Customized to Your R&D Needs

In addition to supplying Deep Data, we provide precisely customized services for your R&D needs as described below.

Custom Compounds

If the chemical compounds you need are not available yet in the current Mol-Instincts database, named as custom compounds, we will process your compounds to make the Deep Data available for you upon your request. You can obtain the Deep Data of your compounds through Delivery plan or Subscription plan.

Obtaining Custom Compounds’ Deep Data Through Delivery Plan.

The Deep Data of your custom compounds can easily be obtained through our Delivery plan. All you need to do is to send us your quotation request and we will take care of the rest. Request Quotation

Obtaining Custom Compounds’ Deep Data Through Subscription Plan.

In case you want to access the Deep Data of your custom compounds through Mol-Instincts database online, please first make sure your compounds are unavailable by searching the compounds on the Mol-Instincts website. If indeed unavailable, please do the followings:

  1. Go to the quotation request page.
  2. Provide your custom compounds in “STEP 1. Determine Your Chemical Compounds”.
  3. Enter “Make All the Data Available in Mol-Instincts Online” in the textbox of the “STEP 2. Select Your Deep Data”.

Deep Complementary Data Sheet (DCDS)

Experimental data frequently contain significant measurement errors. Computational data frequently suffer from over or under predictions. When we face the situation that the reliability of a specific property value of a specific chemical compound becomes critical, what can we do?

One possibility is to analyze the target property data together with that of similar compounds. Both experimental and computational data for both the target compound and similar compounds would be helpful. What we will do if you order a DCDS are the followings:

  1. One,

    we will search for the published experimental data of the target property and make it available in the DCDS if found.

  2. Two,

    we will determine 3 to 4 structurally similar compounds and provide the experimental data if found.

  3. Three,

    we will prepare the refined experimental data for both the target compound and similar compounds if possible.

  4. Four,

    we will prepare the computational data determined based on (1) QSQN technology, (2) QN technology if applicable, and (3) the existing estimation methods if applicable.

Two sample DCDSs are available for your review as follows:

  1. View a sample DCDS: Constant property example for the case of normal boiling point of (2R)-2-Methylcyclohexan-1-one
  2. View sample DCDS: Temperature-dependent property example for the case of viscosity of gas of Methyl Acetate

Chances to secure a reliable range of the target property value becomes much higher by analyzing the experimental data, computational data, and the trend of the data for both the target compound and similar compounds. An example of the analysis is given in the “Data Quality Inspection” section of the technology description page.

To request a quotation of a DCDS, please do the followings:

  1. Go to the quotation request page.
  2. Provide your custom compound in “STEP 1. Determine Your Chemical Compounds”.
  3. Provide your single target property in “STEP 2. Select Your Deep Data” and enter in the next line, “This is to request a DCDS.”.

Custom DDAS (Deep Data Accessing System)

This service is to let you access the Deep Data within your organization using a private network such as an intranet. Per your request, we will design and set up a Deep Data Accessing System (DDAS) for you consisting of database and user interface using your own private servers. The user interface will be identical to that of Mol-Instincts database. In short, this is to own your own version of Mol-Instincts database system.

All or part of the chemical compounds currently stored in the Mol-Instincts database will be available in your DDAS depending on your choice. You can even request your own custom compounds to be included in your DDAS in case the compounds are not available in the current Mol-Instincts database.

The custom DDAS is especially beneficial when a faster data accessing speed and/or a higher level of confidentiality is required.

To request a quotation, simply contact us by email and let us know your needs in writing.

Custom DDCS (Deep Data Computation System)

This service is to let you perform your own QSQN and/or QN technology computations to produce the Deep Data within your organization using your private servers. We will design and set up your private servers for the massive multicore computation and install more than 70 computer program modules and software mostly developed in house.

The custom DDCS is especially useful when you need to perform the various combinations of the computations as needed in your R&D activity without delay and/or a higher level of confidentiality is required. When you use the custom DDCS, it is often the case that the custom DDAS is also required to visualize and access the Deep Data with a user interface.

To request a quotation, simply contact us by email and let us know your needs in writing.

Custom DRDA (Deep Research & Development Assistance)

We provide you with professional assistance to speed up your research and development. As generally described in the QSQN and/or QN technology page, the areas of the custom DRDA includes but are not limited to investigation and/or determination of the various property values of chemical compounds, automatic 3D structure generation of chemical compounds, molecular descriptor estimations, quantum chemical calculations, analysis of experimental data, computational model developments, massive multicore computations, data quality inspection, chemical database construction, and data accessing system development.

The major benefit of the custom DRDA is that you can concentrate on the core part of your R&D while we prepare and supply the materials you need including but not limited to data, analysis, computer program, computation, database, and/or system.

To request a quotation, simply contact us by email and let us know what you need in writing.