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Insilico Medicine to present its latest research in a talk and workshop at NIPS Expo

Insilico Medicine scientists to present their latest research achievements in GAN/GAN-RL-generation of molecular structures, DL biomarkers of aging and disease and end-to-end drug discovery in a talk, workshop, and demo at NIPS Expo

InSilico Medicine, Inc.


IMAGE: Insilico Medicine presents and sponsors the 32nd NIPS conference in Montreal. view more 

Credit: Insilico Medicine

Tuesday, November 20, 2018, Rockville, Maryland. The Neural Information Processing Systems (NIPS) is the largest and the leading annual machine learning conference. In 2018 the registrations were sold out in less than 12 minutes. This year's NIPS will kick off with NIPS Expo held on December 2nd. NIPS Expo is one of the newest additions to the NIPS conference. And while the NIPS conference is sold out but the NIPS Expo on December 2nd is not only available but free to register. On December 2nd Insilico Medicine scientists will present their latest research in the applications of machine learning to drug discovery, biomarker development and aging research at NIPS Expo in the form or a talk, a workshop and a demo. In 2018 Insilico Medicine published over 20 research papers in peer-reviewed journals and demonstrated experimental validation of several years of theoretical work. The NIPS Expo day will provide a deep dive into this research.

Insilico Medicine is proud to be the gold sponsor of the 32nd NIPS conference held in Montreal, December 3-9.

"With the cutting-edge neural network architectures, we are getting close to being able to solve previously incurable diseases. This year we demonstrated that the GAN and GAN-RL systems can generate molecular structures satisfying some of the challenging generation conditions such as high activity, ease of synthesis and low toxicity. GAN and GAN-RL systems can also be used to identify the protein targets implicated in certain diseases" - said Daniil Polykovskiy, Senior Research Scientist at Insilico Medicine.

The talk "Generative Models for Drug Discovery" will explore applications of modern generative models to the field of drug discovery. We will present an overview of current architectures and techniques along with the insights into Insilico Medicine drug discovery pipeline.

We invite the participants to join our workshop "Machine Learning for Drug Discovery and Biomarker Development" that brings together machine learning, chemistry bioinformatics researches together to discuss challenging problems of Drug Discovery and Biomarker Development.

"End-to-End Machine Learning Engine for Drug Discovery" demonstration will present our end-to-end learning pipeline, which utilizes multiple data types to identify the most promising targets and generates novel molecular structures with the desired set of parameters. Our internal web-based solution provides a simple interface for de-novo drug generation pipeline.

"NIPS every year gathers researchers from industry and academia bridging the gap between domains and driving the field forward. We at Insilico Medicine are applying cutting-edge research in machine learning to drug discovery and biomarker development. This event is an excellent opportunity to share experience and discuss recent progress, and we are excited to present our scientific advancements along with the integrated end-to-end platform for drug discovery," - said Alex Zhebrak, CTO of Insilico Medicine, Inc.

You can find Insilico Medicine team during NIPS 2018 week at #816 Insilico Medicine, Inc Booth

Insilico Medicine is proud to be the Gold Sponsor of the 32nd NIPS conference, a conference bringing together the machine learning scientists from all over the world.


Session details:

Sun, Dec 2, 2018 - NIPS expo

Talk "Insilico Medicine: Generative Models for Drug Discovery".

Room 517c 2:00 - 3:00 pm

Workshop "Machine Learning for Drug Discovery and Biomarker Development".

Room 511e 4:30 pm - 6:30 pm

Demo "End-to-End Machine Learning Engine for Drug Discovery".

Rooms 510 abcd from 2:00 pm - 6:30 pm

"We are proud to be the gold sponsor of NIPS 2018 and have our scientists on the ground to learn and exchange ideas. If you are working in video game development and helping people waste the valuable years of life, you may consider learning about how to help them live longer and free of disease. In my opinion, aging research and drug discovery are the two most impactful and altruistic directions every AI scientist should consider contributing to. If you are in Montreal on December 2nd, please register for NIPS Expo, visit our sessions and consider joining the effort.", said Alex Zhavoronkov, PhD, founder and CEO of Insilico Medicine.

Insilico Medicine is regularly publishing research papers in peer-reviewed journals. The company was first to apply the generative adversarial networks (GANs) to the generation of the new molecular structures with the specified parameters and published a seminal peer-reviewed paper submitted in June 2016. The concept was further extended and augmented with advanced memory and reinforcement learning. One of the latest papers published in the Journals of Gerontology demonstrated the application of the deep neural networks to assessing the biological age of the patients. The latest special issue in Molecular Pharmaceutics featured several research papers by Insilico Medicine.

For further information, images or interviews, please contact:

Contact: Klug Gehilfer
Official website of the conference:

About Insilico Medicine, Inc

Insilico Medicine is an artificial intelligence company headquartered in Rockville, with R&D and management resources in Belgium, Russia, UK, Taiwan, and Korea sourced through hackathons and competitions. The company and its scientists are dedicated to extending human productive longevity and transforming every step of the drug discovery and drug development process through excellence in biomarker discovery, drug development, digital medicine, and aging research.

Insilico pioneered the applications of the generative adversarial networks (GANs) and reinforcement learning for generation of novel molecular structures for the diseases with a known target and with no known targets. In addition to working collaborations with the large pharmaceutical companies, the company is pursuing internal drug discovery programs in cancer, dermatological diseases, fibrosis, Parkinson's Disease, Alzheimer's Disease, ALS, diabetes, sarcopenia, and aging. Through a partnership with, the company launched a range of nutraceutical products compounded using the advanced bioinformatics techniques and deep learning approaches. It also provides a range of consumer-facing applications including Young.AI.

In 2017, NVIDIA selected Insilico Medicine as one of the Top 5 AI companies in its potential for social impact. In 2018, the company was named one of the global top 100 AI companies by CB Insights. In 2018 it received the Frost & Sullivan 2018 North American Artificial Intelligence for Aging Research and Drug Development Award accompanied with the industry brief. Brief company video:

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