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6 Jul 2026 Others Experimental Drug Development Centre ScrambleBench: a workflow for comparative assessment of structure-based de novo generative models (Pending publish) Veincent Yap, Pan Xu, Frankie S. Mak, Klement Foo, CongBao Kang, Padmanabhan Anbazhagan, Weijun Xu Journal of Cheminformatics
26 Mar 2026 Others Experimental Drug Development Centre In Silico‐Enabled Discovery and Development of Potent and Selective CDK11 Inhibitors (Pending publish) Frankie S. Mak, Fui Mee Ng, Padmanabhan Anbazhagan, Vikas Madan, Qian Wen Tan, Yiyang See, Diane Lim, Frances Karla Kusuma, Hannah Toh, Juliana Mohammad, Haiyan Yang, Sandra Sim, Li Hong Tan, Eileen Tay, Ronald Toh Kuan Hai, Perlyn Zekui Kwek, Mei Yee Wong, Deepika Raman, Qi An Ang, Vithya Manoharan, Susmitha Vuddagiri, Monique Danielle Dawson, Alison Tan, Joma Kanikadu Joy, Bong Hwa Gan, Choon Bing Low, Haoying Xu, Siew Pheng Lim, Hannes Hentze, Joseph Cherian, Chong Teik Tan, Jackie Ang, Kantharaj Ethirajulu, Klement Foo, Inderjeet Singh, Weijun Xu ChemMedChem
15 May 2025 Others Experimental Drug Development Centre Towards global reaction feasibility and robustness prediction with high throughput data and bayesian deep learning Haowen Zhong, Yilan Liu, Haibin Sun, Yuru Liu, Rentao Zhang, Baochen Li, Yi Yang, Yuqing Huang, Fei Yang, Frankie S. Mak, Klement Foo, Sen Lin, Tianshu Yu, Peng Wang, Xiaoxue Wang Nature Communications
3 Sep 2024 Others Experimental Drug Development Centre Regio-MPNN: predicting regioselectivity for general metal-catalyzed cross-coupling reactions using a chemical knowledge informed message passing neural network Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie S. Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue Wang Digital Discovery