On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction
- Jannis Born
- Yoel Shoshan
- et al.
- 2022
- J. Chem. Inf. Model.
Paper
Publications
1615 results for Machine Learning
A Scalable AutoML Approach Based on Graph Neural Networks
- Mossad Helali
- Essam Mansour
- et al.
- 2022
- VLDB 2022
Conference paperDeep Indexed Active Learning for Matching Heterogeneous Entity Representations
- Arjit Jain
- Sunita Sarawagi
- et al.
- 2022
- VLDB 2022
Conference paperFROTE: Feedback Rule-Driven Oversampling for Editing Models
- Oznur Alkan
- Dennis Wei
- et al.
- 2022
- MLSys 2022
Conference paperAccelerating Training and Inference of Graph Neural Networks with Fast Sampling and Pipelining
- Tim Kaler
- Nickolas Stathas
- et al.
- 2022
- MLSys 2022
Conference paperWorkshop on Cross-Community Federated Learning: Algorithms, Systems and Co-designs
- 2022
- MLSys 2022
WorkshopA Principled Method for the Creation of Synthetic Multi-Fidelity Data Sets
- Clyde Fare
- Peter Fenner
- et al.
- 2022
- arXiv
PaperDevelopment of Ensemble Models for the Growth of Colloidal Spin-on-Glass Materials
- 2022
- ACS Fall 2022
TalkDeep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Conference paperCombining physics-based modeling and graph neural networks for drug discovery
- 2022
- ACS Fall 2022
Conference paper