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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

Aniline reactor predictive maintenance

Company

NDA

Industry

Chemical Manufacturing

Country of the Company

NDA

Type of Service

Consulting

Tasks

  • Optimize data acquisition from multiple real-time sensors monitoring the aniline synthesis process.
  • Develop a Deep Learning algorithm to detect reactor issues using multisensor data.

Challenges

Key challenges included integrating real-time multisensor data, managing process variability, and developing a reliable AI model with limited failure data for accurate reactor issue detection.

Solutions

  • A complex Neural Network model was developed to perform sensor data fusion and predict reactor hard stop.

Outcomes

  • The developed Neural Network model introduced additional control capabilities and improved process visibility, resulting in a 40% reduction in reactor failures.

Technologies Used

PyTorch

LSTM

CNN

COMPANY

NDA

Industry

Chemical Manufacturing

Country of the Company

NDA

Type of Service

Consulting

Learn about our impact through case studies

Platform simplifying venture capital for fund managers and founders

Company

Odin

Industry

Financial Services

Country of the Company

USA

Type of Service

Development

Tasks

  • Develop a classification model to help customers understand their spending habits.
  • Create an adjustable ML model to profile credit and debit transactions.
  • Build a clustering ensemble to define regular and irregular transactions.

Challenges

The main challenge was to create a competitive advantage by utilizing AI to distinguish the financial app from others and to grow expertise in advanced analytics and machine learning.

Solutions

  • An adjustable ML model that profiles customer transactions by merchant, purchase type, and income.
  • A clustering ensemble that categorizes each user’s transactions as regular or irregular.

Outcomes

  • The ML saving advisor became one of the most used features of the app.
  • The first version of the model allowed accurate labeling of regular and irregular transactions in 80% of cases.

Technologies Used

Python (scikit-learn, gradient boosting)

Data warehouse (AWS Redshift, Google BigQuery)

Power BI

Company

Odin

Industry

Financial Services

Country of the Company

USA

Type of Service

Development

Learn about our impact through case studies

Leading AI-powered co-pilot solutions for manufacturing and assembly

Company

nFlux

Industry

Manufacturing

Country of the Company

USA

Type of Service

Consulting/Development

Tasks

  • esign and optimize ML pipelines for manufacturing.
  • Develop scalable cloud infrastructure for ML.
  • Prepare, clean, and annotate data for quality training.
  • Implement CI/CD pipelines for ML models.

Challenges

The main challenge was to create a robust, scalable ML pipeline to process large volumes of manufacturing data in real-time, ensuring reliability and efficiency to support AI-driven co-pilot solutions for operator assistance.

Solutions

  • Built a complete ML pipeline for data processing, training, and deployment.
  • Enhanced scalability and reduced costs with cloud resources.
  • Developed data cleaning tools for high-quality datasets.
  • Integrated CI/CD for seamless model updates.

Outcomes

  • Implementing the ML pipeline boosted manufacturing efficiency and accuracy, while the nFlux Guide™ enhanced operators’ achievement, safety, and reduced stress, leading to greater productivity.

Technologies Used

Python

Tensorflow

PyTorch

AWS

Azure

Docker

Company

nFlux

Industry

Manufacturing

Country of the Company

USA

Type of Service

Consulting/Development

Learn about our impact through case studies

Luxury fashion retailer representing global brands

Company

Helen Marlen

Industry

Fashion Retail

Country of the Company

EU

Type of Service

Consulting

Tasks

  • Build a single Master Data system
  • Data collection and aggregation
  • Data enrichment and processing
  • Develop a business intelligence system

Challenges

Working with a database containing over 150 GB of data and processing more than 10 million transactions.

Solutions

  • Built a single Master Data system
  • Implemented key functions including data collection and aggregation, as well as data enrichment and processing
  • Developed a business intelligence system for data-driven decision-making

Outcomes

  • Built a single Master Data system
  • Key functions included data collection and aggregation, as well as data enrichment and processing
  • Developed a business intelligence system for data-driven decision-making

Technologies Used

SQL

Power BI

Company

Helen Marlen

Industry

Retail

Country of the Company

EU

Type of Service

Consulting

Learn about our impact through case studies