Machine learning on DNA-encoded libraries: A new paradigm for hit-finding

Autor: McCloskey, Kevin, Sigel, Eric A., Kearnes, Steven, Xue, Ling, Tian, Xia, Moccia, Dennis, Gikunju, Diana, Bazzaz, Sana, Chan, Betty, Clark, Matthew A., Cuozzo, John W., Guié, Marie-Aude, Guilinger, John P., Huguet, Christelle, Hupp, Christopher D., Keefe, Anthony D., Mulhern, Christopher J., Zhang, Ying, Riley, Patrick

DNA-encoded small molecule libraries (DELs) have enabled discovery of novel inhibitors for many distinct protein targets of therapeutic value through screening of libraries with up to billions of unique small molecules. We demonstrate a new approach

Externí odkaz: http://arxiv.org/abs/2002.02530

A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins

Autor: Ackloo, Suzanne, Li, Fengling, Szewczyk, Magda, Seitova, Almagul, Loppnau, Peter, Zeng, Hong, Xu, Jin, Ahmad, Shabbir, Arnautova, Yelena A, Baghaie, A. J., Beldar, Serap, Bolotokova, Albina, Centrella, Paolo A., Chau, Irene, Clark, Matthew A., Cuozzo, John W., Dehghani-Tafti, Saba, Disch, Jeremy S., Dong, Aiping, Dumas, Antoine, Feng, Jianwen A., Ghiabi, Pegah, Gibson, Elisa, Gilmer, Justin, Goldman, Brian, Green, Stuart R, Guié, Marie-Aude, Guilinger, John P., Harms, Nathan, Herasymenko, Oleksandra, Houliston, Scott, Hutchinson, Ashley, Kearnes, Steven, Keefe, Anthony D., Kimani, Serah W., Kramer, Trevor, Kutera, Maria, Kwak, Haejin A., Lento, Cristina, Li, Yanjun, Liu, Jenny, Loup, Joachim, Machado, Raquel A. C., Mulhern, Christopher J., Perveen, Sumera, Righetto, Germanna L., Riley, Patrick, Shrestha, Suman, Sigel, Eric A., Silva, Madhushika, Sintchak, Michael D., Slakman, Belinda L., Taylor, Rhys D., Thompson, James, Torng, Wen, Underkoffler, Carl, von Rechenberg, Moritz, Walsh, Ryan T., Watson, Ian, Wilson, Derek J., Wolf, Esther, Yadav, Manisha, Yazdi, Aliakbar K., Zhang, Junyi, Zhang, Ying, Santhakumar, Vijayaratnam, Edwards, Aled M., Barsyte-Lovejoy, Dalia, Schapira, Matthieu, Brown, Peter J., Halabelian, Levon, Arrowsmith, Cheryl H.

Publikováno v: Journal of Medicinal Chemistry; 20240101, Issue: Preprints