日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Which Reaction Conditions Work on Drug-Like Molecules? Lessons from 66,000 High-Throughput Experiments

哪些反应条件适用于类药分子?来自66000个高通量实验的经验教训

Ahlbrecht, Jesse; Lutz, Marius D R; Jost, Vera; Färber, Michael; Bräse, Stefan; Wuitschik, Georg

Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning

利用几何深度学习进行高通量实验,实现后期药物多样化

Nippa, David F; Atz, Kenneth; Hohler, Remo; Müller, Alex T; Marx, Andreas; Bartelmus, Christian; Wuitschik, Georg; Marzuoli, Irene; Jost, Vera; Wolfard, Jens; Binder, Martin; Stepan, Antonia F; Konrad, David B; Grether, Uwe; Martin, Rainer E; Schneider, Gisbert

Geometric deep learning-guided Suzuki reaction conditions assessment for applications in medicinal chemistry

几何深度学习引导的Suzuki反应条件评估及其在药物化学中的应用

Atz, Kenneth; Nippa, David F; Müller, Alex T; Jost, Vera; Anelli, Andrea; Reutlinger, Michael; Kramer, Christian; Martin, Rainer E; Grether, Uwe; Schneider, Gisbert; Wuitschik, Georg

Machine Learning C-N Couplings: Obstacles for a General-Purpose Reaction Yield Prediction

机器学习CN耦合:通用反应产率预测的障碍

Fitzner, Martin; Wuitschik, Georg; Koller, Raffael; Adam, Jean-Michel; Schindler, Torsten