Aiming at making the process faster and smarter, NVIDIA on Wednesday released the NIM Agent Blueprint for generative AI-based virtual screening.
This innovative approach will reduce the time and cost of developing life-saving drugs, enabling quicker access to critical treatments for patients.
This NIM Agent Blueprint introduces a paradigm shift in the drug discovery process, particularly in the crucial hit-to-lead transition, by moving from traditional fixed database screening to generative AI-driven molecule design and pre-optimization, enabling researchers to design better molecules faster.
What's a NIM? What's a NIM Agent Blueprint? NVIDIA NIM microservices are modular, cloud-native components that accelerate AI model deployment and execution. These microservices allow researchers to integrate and scale advanced AI models within their workflows, enabling faster and more efficient processing of complex data.
The NIM Agent Blueprint, a comprehensive guide, shows how these microservices can optimize key stages of drug discovery, such as hit identification and lead optimization.
How Are They Used? Drug discovery is a complex process with three critical stages: target identification, hit identification and lead optimization. Target identification involves choosing the right biology to modify to treat the disease; hit identification is identifying potential molecules that will bind to that target; and lead optimization is improving the design of those molecules to be safer and more effective.
This NVIDIA NIM Agent Blueprint, called generative virtual screening for accelerated drug discovery, identifies and improves virtual hits in a smarter and more efficient way.
At its core are three essential AI models, now including the recently integrated AlphaFold2 as part of NVIDIA's NIM microservices.
AlphaFold2, renowned for its groundbreaking impact on protein structure prediction, is now available as an NVIDIA NIM.
MolMIM is a novel model developed by NVIDIA that generates molecules while simultaneously optimizing for multiple properties, such as high solubility and low toxicity.
DiffDock is an advanced tool for quickly modeling the binding of small molecules to their protein targets.
These models work in concert to improve the hit-to-lead process, making it more efficient and faster.
Each of these AI models is packaged within NVIDIA NIM microservices - portable containers designed to accelerate the performance, shorten time-to-market and simplify the deployment of generative AI models anywhere.
The NIM Agent Blueprint integrates these microservices into a flexible, scalable, generative AI workflow that can help transform drug discovery.
Leading computational drug discovery and biotechnology software providers that are using NIM microservices now, such as Benchling, Dotmatics, Terray, TetraScience and Cadence Molecular Sciences (OpenEye), are using NIM Agent Blueprints in their computer-aided drug discovery platforms.
These integrations aim to make the hit-to-lead process faster and more intelligent, leading to the identification of more viable drug candidates in less time and at lower cost.
Global professional services company Accenture is poised to tailor the NIM Agent Blueprint to the specific needs of drug development programs by optimizing the molecule generation step with input from pharmaceutical partners to inform the MolMIM NIM.
In addition, the NIM microservices that comprise the NIM Agent Blueprint will soon be available on AWS HealthOmics, a purpose-built service that helps customers orchestrate biological analyses. This includes streamlining the integration of AI into existing drug discovery workflows.
Revolutionizing Drug Development With AI The stakes in drug discovery are high.
Developing a new drug typically costs around $2.6 billion and can take 10-15 years, with a success rate of less than 10%.
By making molecular design smarter with NVIDIA's AI-powered NIM Agent Blueprint, pharmaceutical companies can reduce these costs and shorten development timelines in the $1.5 trillion global pharmaceutical market.
This NIM Agent Blueprint represents a significant shift from traditional drug discovery methods, offering a generative AI approach that pre-optimizes molecules for desired therapeutic properties.
For example, MolMIM, the generative model for molecules within this NIM Agent Blueprint, uses advanced functions to steer the generation of molecules with optimized pharmacokinetic properties - such as absorption rate, protein binding, half-life and other properties - a marked advancement over previous methods.
This smarter approach to small molecule design enhances the potential for successful lead optimization, accelerating the overall drug discovery process.
This leap in technology could lead to faster, more targeted treatments, addressing growing challenges in healthcare, from rising costs to an aging population.
NVIDIA's commitment to supporting researchers with the latest advancements in accelerated computing underscores its role in solving the most complex problems in drug discovery.
Visit build.nvidia.com to download the NIM Agent Blueprint for generative AI-based virtual screening and take the first step toward faster, more efficient drug development.
See notice regarding software product information.
More from Nvidia
12/09/2024
Rise and shine - Capcom's latest action-adventure game, Dead Rising Deluxe Remaster, heads to the cloud at launch next week.
It's part of nine new titl...
11/09/2024
AI is transforming the broadcast industry by enhancing the way content is created, distributed and consumed - but integrating the technology can be challenging....
11/09/2024
Enterprises are looking for increasingly powerful compute to support their AI workloads and accelerate data processing. The efficiency gained can translate to b...
11/09/2024
To accelerate autonomous vehicle development and deployment timelines, Nuro announced today it will license its Nuro Driver autonomous driving system directly t...
09/09/2024
Companies in broadcast, sports and streaming are transitioning to software-defined infrastructure to benefit from flexible deployment and to more easily adopt t...
06/09/2024
Customer service departments across industries are facing increased call volumes, high customer service agent turnover, talent shortages and shifting customer e...
05/09/2024
Fall will be here soon, so leaf it to GeForce NOW to bring the games, with 19 joining the cloud in September.
Get started with the seven games available to str...
05/09/2024
The business transformations that generative AI brings come with risks that AI itself can help secure in a kind of flywheel of progress.
Companies who were qui...
04/09/2024
Volvo Cars' new, fully electric EX90 is making its way from the automaker's assembly line in Charleston, South Carolina, to dealerships around the U.S.
...
04/09/2024
Editor's note: This post is part of the AI Decoded series, which demystifies AI by making the technology more accessible, and showcases new hardware, softwa...
04/09/2024
Edward Mehr works where AI meets the anvil. The company he cofounded, Machina L...
04/09/2024
It all started at Berlin's Merantix venture studio in 2022, when Silviu Homo...
29/08/2024
Well before OpenAI upended the technology industry with its release of ChatGPT i...
29/08/2024
It's time to mana-fest the spirit of adventure with Square Enix's highly anticipated action role-playing game, Visions of Mana, launching today in the c...
28/08/2024
As enterprises race to adopt generative AI and bring new services to market, the demands on data center infrastructure have never been greater. Training large l...
28/08/2024
Editor's note: This post is part of the AI Decoded series, which demystifies AI by making the technology more accessible, and showcases new hardware, softwa...
27/08/2024
The initial wave of generative AI was driven by its use in internet services tha...
27/08/2024
Aiming at making the process faster and smarter, NVIDIA on Wednesday released th...
26/08/2024
Nations around the world are pursuing sovereign AI to produce artificial intelligence using their own computing infrastructure, data, workforce and business net...
23/08/2024
A deep technology conference for processor and system architects from industry a...
22/08/2024
Straight out of Gamescom, NVIDIA introduced GeForce NOW support for Xbox automat...
21/08/2024
Snowflake is using AI to help enterprises transform data into insights and applications. In this episode of NVIDIA's AI Podcast, host Noah Kravitz and Baris...
21/08/2024
Developers of generative AI typically face a tradeoff between model size and acc...
21/08/2024
Editor's note: This post is part of the AI Decoded series, which demystifies...
20/08/2024
At Gamescom, the world's biggest gaming expo, NVIDIA has once again pushed t...
20/08/2024
India is home to the globe's second-largest road network, spanning nearly 4 ...
20/08/2024
Picture this: NVIDIA and MediaTek are working together to make the industry's best gaming display technologies more accessible to gamers globally.
The comp...
20/08/2024
NVIDIA's first digital human technology small language model is being demons...
20/08/2024
Each week, GeForce NOW elevates cloud gaming by bringing top PC games and new up...
19/08/2024
As hurricanes, tornadoes and other extreme weather events occur with increased f...
15/08/2024
Time to be wowed: GeForce NOW members can now stream World of Warcraft on suppor...
14/08/2024
Editor's note: This post is part of the AI Decoded series, which demystifies...
13/08/2024
Bringing together the world's brightest minds and the latest accelerated computing technology leads to powerful breakthroughs that help tackle some of the b...
09/08/2024
The State of California today announced a first-of-its-kind AI education initiative with NVIDIA.
The public-private collaboration supports the state's goal...
08/08/2024
Editor's note: This blog was updated on Aug. 9 to reflect changes to the availability of Warhammer 40,000: Speed Freeks.'
This GFN Thursday marks 2,00...
08/08/2024
Silicon Valley's Figure has taken the wraps off of its next-generation Figur...
07/08/2024
Editor's note: This post is part of the AI Decoded series, which demystifies AI by making the technology more accessible, and showcases new hardware, softwa...
07/08/2024
Techbio is a field combining data, technology and biology to enhance scientific ...
06/08/2024
High school student Selin Alara Ornek is looking ahead - using machine learning and the NVIDIA Jetson platform for edge AI and robotics to create robot guide do...
06/08/2024
Editor's note: This post is part of our In the NVIDIA Studio series, which c...
01/08/2024
Members can choose their own adventure with GeForce NOW bringing 18 new games to the cloud in August - including Square Enix's fantasy role-playing game Vis...
31/07/2024
Enterprises are rapidly adopting generative AI, large language models (LLMs), ad...
31/07/2024
NVIDIA researchers used NVIDIA Edify, a multimodal architecture for visual generative AI, to build a detailed 3D desert landscape within a few minutes in a live...
31/07/2024
In celebration of Zoox's 10th anniversary, NVIDIA founder and CEO Jensen Huang recently joined the robotaxi company's CEO, Aicha Evans, and its cofounde...
31/07/2024
Editor's note: This post is part of the AI Decoded series, which demystifies...
29/07/2024
Designers and artists have new and improved ways to boost their productivity wit...
29/07/2024
Millions of people already use generative AI to assist in writing and learning. ...
29/07/2024
One of the world's largest AI communities - comprising 4 million developers on the Hugging Face platform - is gaining easy access to NVIDIA-accelerated infe...
29/07/2024
Generative AI is unlocking new ways for enterprises to engage customers through ...
Aiming at making the process faster and smarter, NVIDIA on Wednesday released the NIM Agent Blueprint for generative AI-based virtual screening.
