SC Chemistry Informatics LLC

SC CHEMISTRY INFORMATICS LLC

Welcome to SC Chemistry Informatics LLC

Your partner in cheminformatics, AI/ML model building, and drug discovery support, we provide comprehensive expertise in cheminformatics, computational chemistry, numerical analysis, and data science. Cheminformatics involves the application of computer and informational techniques to solve chemical problems, such as molecular modeling and data mining in drug discovery. Computational chemistry uses advanced computer simulations to predict the behavior of molecules, their interactions, and reactivity. Numerical analysis is the field of creating algorithms to solve mathematical problems with high precision, while data science focuses on extracting meaningful insights from large datasets through statistical and computational methods.

Our Services

SC Chemistry Informatics LLC specializes in AI/ML-driven SAR models, medicinal chemistry support, and industrial virtual screening solutions. We offer services in hit progression, R-group deconvolution, molecular matched pairs, automated docking for therapeutic target support, and comprehensive data integration into various platforms such as Oracle, Spotfire, and Data Lake. Our team excels in building custom software for medicinal chemistry, integrating data science workflows, and optimizing high-throughput virtual screening, delivering robust solutions for your research pipeline.

  1. Cheminformatics & Computational Chemistry rapid data analysis & Decision support
  2. Python script & software development
  3. Spotfire, Python & Excel data analysis & dashboards
  4. Pipeline Pilot software development
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