SC Chemistry Informatics LLC

SC CHEMISTRY INFORMATICS LLC

Our Services

  1. Clustering, Diversity Space Exploration, and Dimensionality Reduction
    Clustering and Dimensionality Reduction Visualization
  2. Early Discovery data analysis
    Early Discovery WorkStream
    , Hit Marking Progression (Supervised & Property Unbiased & Biased)
    HitMarking Methodology
  3. Medicinal Chemistry Building Block identification and tabulation
    BB identification workstream
    , BB Reaction enumeration and profiling
    Reaction Enumeration Methodology
  4. Medicinal chemistry SAR support: R-group deconvolution and molecular matched pairs
  5. Reaction-based and R-group based enumeration for AI/ML SAR (QSAR) idea generation and direct therapeutic target support
  6. Specific Building block curation for libraries and project dashboards
    Registered compounds
    Dotmatics
  7. Dashboarding of Med Chem projects,
    Profile report of top compounds in a card view format
    Card View
    via Spotfire
  8. Custom software development for Medicinal Chemistry and related streams
  9. AI/ML SAR profiling for libraries, with software licensing available
  10. AI/ML ideas exploration using Spotfire, Pipeline Pilot, and RDkit
  11. Targets and Compounds Datamining analysis
    Profile report marketed drugs
    Targets Marketed Drugs
    internal classification also possible
  12. Target Validation & New Targets research, ChEMBL, PubChem, OMICS data mining, and analysis
  13. Proteomics Hit marking and analysis
    Proteomics Visualization
  14. Hadoop On demand RNA seq visualizer
    RNA Seq Expression Data visualizer
  15. Paint Formulation design
    Paint Optimizer
    Bespoke Property calculators
    Bespoke Calculators

    16. IT Specific Services

  16. Maintenance of computational chemistry software and licenses
  17. Spotfire programming, Dashboarding, and Web Dashboards for Medicinal Chemistry Projects
  18. Integrate data into Oracle Tables, Spotfire, Data Lake, Chemdraw, and other dashboard views
  19. Maintenance, administration, and installation of computational chemistry & biology server, data marts, queuing systems, Hadoop cluster, and databases

Engagement Process and Rates

  1. Hourly rates are competitive, and we offer a discount on the first engagement of a minimum of 40 hours (at $200/hr).
  2. After a required signed NDA, an SOW will be drafted during the first engagement (1 hr). The data and information requirements will be supplied and gathered subsequently (no charge).
  3. A work progress report will be prepared for review (no charge), with a first pass mock-up of the work to be reviewed via conference call (1 hr). We will execute the work and provide a summary review of the results on a conference call, followed by approval for submission.
  4. Upon completion, we will submit an invoice for payment and provide data files to your team. (2 hrs + 38 hrs = 40 hrs).

Retainer Information

SC Chemistry Informatics LLC offers retainer agreements for ongoing access to our services. A retainer is an advance payment arrangement where clients pay for the assurance that our services will be available when needed. We offer two types of retainers:

  • General Retainer: A fixed monthly fee that ensures our availability to provide services on demand, whether or not they are used.
  • Retainer for Services: Clients prepay for a specified number of hours or services. The cost of work performed is deducted from the retainer. Additional fees may apply once the retainer is used up.

Our retainer agreements ensure that you receive priority support and can manage your project timelines with confidence.

PowerPoint Presentation Short Videos

AI SAM Talk Presentation

AI SAM video

Kinnate Workstream: Dashboards, R Group Enumeration Powerpoint

Kinnate Workstream: Dashboards, R Group Enumeration video

One Prot Reactor: Reaction Enumeration and QSAR Powerpoint

One Prot Reactor: Reaction Enumeration video: QSAR