no code implementations • 13 Feb 2024 • Mohammad Ghazi Vakili, Christoph Gorgulla, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M. Padmanabha Das, Jamie Snider, Anna Lyakisheva, Ardalan Hosseini Mansob, Zhong Yao, Lela Bitar, Eugene Radchenko, Xiao Ding, Jinxin Liu, Fanye Meng, Feng Ren, Yudong Cao, Igor Stagljar, Alán Aspuru-Guzik, Alex Zhavoronkov
The discovery of small molecules with therapeutic potential is a long-standing challenge in chemistry and biology.
no code implementations • 22 Jan 2021 • Yan A. Ivanenkov, Alex Zhebrak, Dmitry Bezrukov, Bogdan Zagribelnyy, Vladimir Aladinskiy, Daniil Polykovskiy, Evgeny Putin, Petrina Kamya, Alexander Aliper, Alex Zhavoronkov
Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods.