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Deep learning models for organic compound solubility and interactions prediction

Company

NDA

Industry

Pharmaceutical R&D

Country of the Company

NDA

Type of Service

Consulting

Tasks

  • Provide expert services in pharmaceutical R&D for developing deep learning models for drug discovery, including predictions of organic compound solubility and interactions with proteins and DNA.

Challenges

  • Accurately predicting the solubility of organic compounds.
  • Modeling complex interactions between drugs and biological targets (proteins, DNA).
  • Ensuring data privacy and security, adhering to industry regulations.
  • Integrating AI models with existing R&D workflows and systems.

Solutions

  • Specialized service combining ML expertise with chemistry and drug discovery.
  • Development and deployment of deep learning models to predict organic compound solubility and interactions with proteins/DNA.
  • Utilization of extensive datasets and advanced algorithms for accurate insights.
  • Seamless integration with existing R&D workflows to ensure minimal disruption.
  • Continuous support and model updates for adapting to new data and research needs.

Outcomes

  • Achieve a 15-20% reduction in research time and costs, accelerating the drug discovery process and improving the success rate of potential drug candidates.

Technologies Used

TensorFlow

PyTorch

Azure

AWS

COMPANY

NDA

Industry

Pharmaceutical

Country of the Company

NDA

Type of Service

Consulting

Learn about our impact through case studies

AI-driven tools for peak prediction and automatic peak integration

Company

NDA

Industry

Pharmaceutical R&D

Country of the Company

NDA

Type of Service

Consulting

Tasks

  • Develop an AI-driven ecosystem to enhance HPLC capabilities in pharmaceutical R&D, enabling peak prediction, automated integration, and compliance with regulatory standards and GMP.

Challenges

  • Accurate prediction of chromatogram peak retention times.
  • Automated and precise peak integration adhering to regulatory and GMP standards.
  • Ensuring data privacy and security in compliance with industry regulations.
  • Integration with existing laboratory information management systems (LIMS).

Solutions

  • Develop an AI-powered ecosystem to enhance HPLC capabilities.
  • Predict peak retention times and integrate peaks automatically per GMP and regulatory standards.
  • Utilize ML models trained on historical chromatographic data for real-time predictions and integrations.
  • Include a user-friendly interface for parameter monitoring and compliance.
  • Seamlessly integrate with existing LIMS for streamlined data management and record-keeping.

Outcomes

  • Achieve a 20-25% increase in operational efficiency, reducing manual workload and enhancing the accuracy of chromatographic analyses.

Technologies Used

TensorFlow

PyTorch

Azure

AWS

COMPANY

NDA

Industry

Pharmaceutical

Country of the Company

NDA

Type of Service

Consulting

Learn about our impact through case studies

Forecasting material consumption and sales

Company

NDA

Industry

Pharmaceutical

Country of the Company

NDA

Type of Service

Consulting

Tasks

  • Implement AI/ML solutions to forecast material consumption and sales, optimizing procurement, supply chain, and production quantities in the Pharma industry.

Challenges

  • Ensuring accurate data collection and seamless integration with existing systems.
  • Managing data privacy and security, adhering to GDPR and HIPAA regulations.
  • Maintaining model accuracy and adaptability to dynamic market conditions.

Solutions

  • Implement ARIMA and LSTM models for time series forecasting of material usage and sales.
  • Integrate models with ERP and CRM systems for seamless data flow.
  • Establish a robust data governance framework.
  • Enable continuous model retraining to adapt to market changes.
  • Enhance procurement planning and production schedules to reduce material waste.

Outcomes

  • Achieve a 10-15% reduction in material waste, improving overall efficiency and reducing costs.

Technologies Used

LSTM

Integration with ERP and CRM systems

Data Governance Framework

COMPANY

NDA

Industry

Pharmaceutical

Country of the Company

NDA

Type of Service

Consulting

Learn about our impact through case studies

Global leader in pharmaceutical innovation and R&D

Company

Servier

Industry

Pharmaceutical

Country of the Company

EU

Type of Service

Development

Tasks

  • Audit current IT architecture.
  • Analyze reporting processes across departments.
  • Recommend solutions for analytic function optimization.
  • Gather requirements for reporting and analytics.
  • Define master data systems for each category.
  • Propose new IT architecture for system integration.
  • Outline development plan for the new system.

Challenges

The main challenge was to develop a comprehensive strategy to automate data collection and reporting processes, integrate various data systems, and improve data-driven decision-making capabilities for Servier Ukraine.

Solutions

  • Established unified reporting standards for all data categories.
  • Created a single Master Data system per category.
  • Enabled automated data exchange across systems to reduce manual tasks.
  • Built an automated reporting system for recurring reports.
  • Recommended MS Power BI as the primary reporting tool.

Outcomes

  • Automated data collection and reporting.
  • Enhanced data integration and minimized silos.
  • Strengthened decision-making with predictive analytics.
  • Reduced manual tasks, boosting data efficiency.
  • Improved user experience with a modern interface.

Technologies Used

MS Power BI

Data warehouse (AWS Redshift, Google BigQuery)

Company

Servier

Industry

Pharmaceutical

Country of the Company

EU

Type of Service

Consulting/Development

Learn about our impact through case studies