未登录 分享 收藏
分享 收藏
分享 收藏
分享 收藏
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World 基于化学结构的毒性预测机器学习：现实世界成功的基石 Seal, Srijit; Mahale, Manas; Garcia-Ortegon, Miguel; Joshi, Chaitanya K.; Hosseini-Gerami, Layla; Beatson, Alex; Greenig, Matthew; Shekhar, Mrinal; Patra, Arijit; Weis, Caroline; Mehrjou, Arash; Badre, Adrien; Paisley, Brianna; Lowe, Rhiannon; Singh, Shantanu; Shah, Falgun; Johannesson, Bjarki; Williams, Dominic; Rouquie, David; Clevert, Djork-Arne; Schwab, Patrick; Richmond, Nicola; Nicolaou, Christos A.; Gonzalez, Raymond J.; Naven, Russell; Schramm, Carolin; Vidler, Lewis R.; Mansouri, Kamel; Walters, W. Patrick; Wilk, Deidre Dalmas; Spjuth, Ola; Carpenter, Anne E.; Bender, Andreas 分享 收藏
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design 生成可用资源在全新药物设计中实现内部合成性 Hassen, Alan Kai; Sicho, Martin; van Aalst, Yorick J.; Huizenga, Mirjam C. W.; Reynolds, Darcy N. R.; Luukkonen, Sohvi; Bernatavicius, Andrius; Clevert, Djork-Arne; Janssen, Antonius P. A.; van Westen, Gerard J. P.; Preuss, Mike 分享 收藏
分享 收藏
A call for an industry-led initiative to critically assess machine learning for real-world drug discovery 呼吁行业主导的倡议，批判性地评估机器学习在现实世界中的药物发现 Wognum, Cas; Ash, Jeremy R.; Aldeghi, Matteo; Rodriguez-Perez, Raquel; Fang, Cheng; Cheng, Alan C.; Price, Daniel J.; Clevert, Djork-Arne; Engkvist, Ola; Walters, W. Patrick 分享 收藏
A data science roadmap for open science organizations engaged in early-stage drug discovery 面向从事早期药物发现的开放科学组织的数据科学路线图 Edfeldt, Kristina; Edwards, Aled M.; Engkvist, Ola; Guenther, Judith; Hartley, Matthew; Hulcoop, David G.; Leach, Andrew R.; Marsden, Brian D.; Menge, Amelie; Misquitta, Leonie; Mueller, Susanne; Owen, Dafydd R.; Schuett, Kristof T.; Skelton, Nicholas; Steffen, Andreas; Tropsha, Alexander; Vernet, Erik; Wang, Yanli; Wellnitz, James; Willson, Timothy M.; Clevert, Djork-Arne; Haibe-Kains, Benjamin; Schiavone, Lovisa Holmberg; Schapira, Matthieu 分享 收藏
分享 收藏
分享 收藏
分享 收藏
Artificial intelligence for natural product drug discovery 天然产物药物发现的人工智能 Mullowney, Michael W.; Duncan, Katherine R.; Elsayed, Somayah S.; Garg, Neha; van der Hooft, Justin J. J.; Martin, Nathaniel I.; Meijer, David; Terlouw, Barbara R.; Biermann, Friederike; Blin, Kai; Durairaj, Janani; Gonzalez, Marina Gorostiola; Helfrich, Eric J. N.; Huber, Florian; Leopold-Messer, Stefan; Rajan, Kohulan; de Rond, Tristan; van Santen, Jeffrey A.; Sorokina, Maria; Balunas, Marcy J.; Beniddir, Mehdi A.; van Bergeijk, Doris A.; Carroll, Laura M.; Clark, Chase M.; Clevert, Djork-Arne; Dejong, Chris A.; Du, Chao; Ferrinho, Scarlet; Grisoni, Francesca; Hofstetter, Albert; Jespers, Willem; Kalinina, Olga V.; Kautsar, Satria A.; Kim, Hyunwoo; Leao, Tiago F.; Masschelein, Joleen; Rees, Evan R.; Reher, Raphael; Reker, Daniel; Schwaller, Philippe; Segler, Marwin; Skinnider, Michael A.; Walker, Allison S.; Willighagen, Egon L.; Zdrazil, Barbara; Ziemert, Nadine; Goss, Rebecca J. M.; Guyomard, Pierre; Volkamer, Andrea; Gerwick, William H.; Kim, Hyun Uk; Mueller, Rolf; van Wezel, Gilles P.; van Westen, Gerard J. P.; Hirsch, Anna K. H.; Linington, Roger G.; Robinson, Serina L.; Medema, Marnix H. 分享 收藏
分享 收藏
分享 收藏
分享 收藏
分享 收藏
分享 收藏
分享 收藏
分享 收藏
.png){kind=icon}
未登录.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
