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Artificial intelligence (AI) Assisted Drug Discovery platform Artificial intelligence (AI) Assisted Drug Discovery platform

Artificial intelligence (AI) Assisted Drug Discovery platform

Enabling and Accelerating Candidate Nomination

Aurigene is a leading Contract Research, Development, and Manufacturing Organization (CRDMO) with over two decades of experience in drug discovery and development. Our mission is to accelerate the development and delivery of innovative medicines to patients by catalyzing the drug discovery process. In alignment with this mission, we are adding below set of tools to our service offerings.

Aurigene.AI: An AI-assisted drug discovery platform
Aurimine: A virtual database comprising of 12+ billion compound.

These innovations reinforce our commitment to advancing drug discovery and bringing innovative medicines to realization.


The drug discovery and development is a protracted, resource-intensive process involving substantial investments, often reaching millions of dollars. Unfortunately, nearly 90% of drug discovery programs face failure at various stages, primarily due to the lack of platforms capable of predicting success or failure in initial phases.

Recognizing this formidable challenge and aligning with Aurigene’s mission, our experts have developed an AI-assisted drug discovery platform Aurigene.AI. This is a one-of-a-kind platform created through the integration of advanced AI algorithms and computational/CADD approaches. This unique amalgamation expedites candidate nomination, supporting the entirety of drug discovery projects from hit identification to the selection of preclinical candidates.

The digital platform features a meticulously curated compound database which is validated with structure normalization rules and is ever-expanding using both in-house and public domain information. The robust database, which stands today at 180 million compounds, and 1.6 million validated bioassay data points, serves as a robust search engine and provides training data for the AI algorithms. The database is searchable through structure & property / semantic queries for getting relevant information required for a specific purpose.

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Platform also offers significant amount of scope for customization by bringing several AI models onto one screen. This platform is a one stop shop for a wide variety of top-tier predictive and generative AI models, as well as computational/ CADD models. To date this platform consists of 11 generative AI, 4 predictive AI and 8 CADD/computational models. This modular and embedded design enables our scientific experts to cherry-pick the right set of models to be deployed for a specific application.


Being an end-to-end service provider, Aurigene is well equipped to quickly synthesize and run a variety of experimental assessments in both in-vitro and in-vivo . The results from the wet lab testing can be fed into our platform in real-time for training the AI models, enabling it to improve further. Creating this iterative-cycle, makes our platform unique and ensures that each new chemical design prediction made by the platform is increasingly accurate and reliable, and has the desired properties.

In conjunction with our synthetic chemistry and discovery biology services, this platform offers a comprehensive solution to clients eager to unveil and introduce their ground-breaking molecules to the market. It facilitates early detection of potential failures, paving the way for prompt reinitiation of candidate selection cycle. This approach significantly enhances the likelihood of successful drug discovery within a condensed timeframe and minimized costs.

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Why Aurigene Pharmaceutical Services?

A robust platform that combines physics-based simulations and advanced AI algorithms

A customizable platform, that leverages best in class AI algorithms, CADD models and a meticulously curated and ever-expanding data-base

Learning system that enables “fail fast & iterate faster”

An end-to-end solution combining AI with Aurigene’s core expertise in synthesizing and experimentally testing the molecules

20+ years of experience in medicinal chemistry and discovery biology

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