Chemistry42: An AI-Driven Platform for Molecular Design and Optimization

por Ivanenkov, Yan A., Polykovskiy, Daniil, Bezrukov, Dmitry, Zagribelnyy, Bogdan, Aladinskiy, Vladimir, Kamya, Petrina, Aliper, Alex, Ren, Feng, Zhavoronkov, Alex
Publicado 2023

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

por Polykovskiy, Daniil, Zhebrak, Alexander, Sanchez-Lengeling, Benjamin, Golovanov, Sergey, Tatanov, Oktai, Belyaev, Stanislav, Kurbanov, Rauf, Artamonov, Aleksey, Aladinskiy, Vladimir, Veselov, Mark, Kadurin, Artur, Johansson, Simon, Chen, Hongming, Nikolenko, Sergey, Aspuru-Guzik, Alán, Zhavoronkov, Alex
Publicado 2020

AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

por Ren, Feng, Ding, Xiao, Zheng, Min, Korzinkin, Mikhail, Cai, Xin, Zhu, Wei, Mantsyzov, Alexey, Aliper, Alex, Aladinskiy, Vladimir, Cao, Zhongying, Kong, Shanshan, Long, Xi, Man Liu, Bonnie Hei, Liu, Yingtao, Naumov, Vladimir, Shneyderman, Anastasia, Ozerov, Ivan V., Wang, Ju, Pun, Frank W., Polykovskiy, Daniil A., Sun, Chong, Levitt, Michael, Aspuru-Guzik, Alán, Zhavoronkov, Alex
Publicado 2023

Identification of Novel Antibacterials Using Machine Learning Techniques

por Ivanenkov, Yan A., Zhavoronkov, Alex, Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Veselov, Mark S., Ayginin, Andrey A., Kartsev, Victor G., Skvortsov, Dmitry A., Chemeris, Alexey V., Baimiev, Alexey Kh., Sofronova, Alina A., Malyshev, Alexander S., Filkov, Gleb I., Bezrukov, Dmitry S., Zagribelnyy, Bogdan A., Putin, Evgeny O., Puchinina, Maria M., Dontsova, Olga A.
Publicado 2019