AI for Breaking Boundaries In Chemical Space Exploration

We pair leading biomedical research with state-of-the-art small molecule drug discovery capabilities to develop transformative new precision medicines

PURPOSE

Developing & Providing Access To Transformative New Precision Medicines
To Extend The Healthspan Of 1 Billion People By 2050

A NEW PARADIGM FOR CHEMICAL SPACE EXPLORATION

  1. 1969 First CASP Developed
  2. 2010 Enumeration of 10 Trillion Molecules
  3. 2020 99andBeyond Develops Apollo 1060 To Rapidly Search 10 Septillion Molecules
1969 First CASP Developed
2010 Enumeration of 10 Trillion Molecules
2020 99andBeyond Develops Apollo 1060 To Rapidly Search 10 Septillion Molecules

Apollo 1060

Apollo 1060 - A New Paradigm in Chemical Space Exploration

Our team has developed Apollo 1060, a patent-pending AI-augmented decision-making platform for small molecule drug discovery that can rapidly search a chemical space that is orders...

PUBLICATIONS

July 2020 | ICML

Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning

Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu, Yashaswi Pathak, Haoran Wei, Shengchao Liu, Karam M. J. Thomas, Simon Blackburn, Connor W. Coley, Jian Tang, Sarath Chandar, Yoshua Bengio
International Conference on Machine Learning, 2020

February 2019 | JCIM

De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping

Boris Sattarov, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum, Alexandre Varnek
Journal of Chemical Information and Modeling, 2019

October 2018 | Biomolecules

Improving Chemical Autoencoder Latent Space And Molecular De Novo Generation Diversity With Heteroencoders

Esben Jannik Bjerrum, Boris Sattarov
Biomolecules, 2018

TEAM

Karam J. Thomas

CEO
Former Management Consultant

Boris Sattarov

Founding Researcher
PhD Drop Out

Sai Krishna

Founding Researcher
Mila Alumnus

Yashaswi Pathak

ML Researcher
IIIT Hyderabad