Outlier detection is a statistical procedure that aims to find suspicious events or items that are different from the normal form of a dataset. It has drawn considerable interest in the field of data mining and machine learning. Outlier detection is important in many applications, including fraud detection in credit card transactions and network intrusion detection. There are two general types of outlier detection: global and local. Global outliers fall outside the normal range for an entire dataset, whereas local outliers may fall within the normal range for the entire dataset, but outside the normal range for the surrounding data points. This paper addresses local outlier detection. The best-known technique for local outlier detection is the Local Outlier Factor (LOF), a density-based technique. There are many LOF algorithms for a static data environment; however, these algorithms cannot be applied directly to data streams, which are an important type of big data. In general, local outlier detection algorithms for data streams are still deficient and better algorithms need to be developed that can effectively analyze the high velocity of data streams to detect local outliers. This paper presents a literature review of local outlier detection algorithms in static and stream environments,more »
QSAR without borders
Prediction of chemical bioactivity and physical properties has been one of the most important applications of statistical and more recently, machine learning and artificial intelligence methods in chemical sciences. This field of research, broadly known as quantitative structure–activity relationships (QSAR) modeling, has developed many important algorithms and has found a broad range of applications in physical organic and medicinal chemistry in the past 55+ years. This Perspective summarizes recent technological advances in QSAR modeling but it also highlights the applicability of algorithms, modeling methods, and validation practices developed in QSAR to a wide range of research areas outside of traditional QSAR boundaries including synthesis planning, nanotechnology, materials science, biomaterials, and clinical informatics. As modern research methods generate rapidly increasing amounts of data, the knowledge of robust data-driven modelling methods professed within the QSAR field can become essential for scientists working both within and outside of chemical research. We hope that this contribution highlighting the generalizable components of QSAR modeling will serve to address this challenge.
- Award ID(s):
- Publication Date:
- NSF-PAR ID:
- Journal Name:
- Chemical Society Reviews
- Page Range or eLocation-ID:
- 3525 to 3564
- Sponsoring Org:
- National Science Foundation
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