0000000000341639
AUTHOR
Ulrich Rückert
Adapted Transfer of Distance Measures for Quantitative Structure-Activity Relationships and Data-Driven Selection of Source Datasets
Quantitative structure–activity relationships are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologically relevant endpoints, which constitute the target outcomes of experiments. The task is often tackled by instance-based methods, which are all based on the notion of chemical (dis-)similarity. Our starting point is the observation by Raymond and Willett that the two families of chemical distance measures, fingerprint-based and maximum common subgraph-based measures, provide orthogonal information about chemical similarity. This paper presents a novel method for finding suitable combinations of them, called adapted tran…
Simurgh
The availability of non-volatile main memory (NVMM) has started a new era for storage systems and NVMM specific file systems can support extremely high data and metadata rates, which are required by many HPC and data-intensive applications. Scaling metadata performance within NVMM file systems is nevertheless often restricted by the Linux kernel storage stack, while simply moving metadata management to the user space can compromise security or flexibility. This paper introduces Simurgh, a hardware-assisted user space file system with decentralized metadata management that allows secure metadata updates from within user space. Simurgh guarantees consistency, durability, and ordering of updat…