Structure-based virtual screening: from classical to artificial intelligence

EHB Maia, LC Assis, TA De Oliveira… - Frontiers in …, 2020 - frontiersin.org
The drug development process is a major challenge in the pharmaceutical industry since it
takes a substantial amount of time and money to move through all the phases of developing …

ROC analysis: applications to the classification of biological sequences and 3D structures

P Sonego, A Kocsor, S Pongor - Briefings in bioinformatics, 2008 - academic.oup.com
Abstract ROC ('receiver operator characteristics') analysis is a visual as well as numerical
method used for assessing the performance of classification algorithms, such as those used …

[图书][B] Evaluating learning algorithms: a classification perspective

N Japkowicz, M Shah - 2011 - books.google.com
The field of machine learning has matured to the point where many sophisticated learning
approaches can be applied to practical applications. Thus it is of critical importance that …

An introduction to ROC analysis

T Fawcett - Pattern recognition letters, 2006 - Elsevier
Receiver operating characteristics (ROC) graphs are useful for organizing classifiers and
visualizing their performance. ROC graphs are commonly used in medical decision making …

[图书][B] Foundations of rule learning

J Fürnkranz, D Gamberger, N Lavrač - 2012 - books.google.com
Rules–the clearest, most explored and best understood form of knowledge representation–
are particularly important for data mining, as they offer the best tradeoff between human and …

[图书][B] Statistical pattern recognition

AR Webb - 2003 - books.google.com
Statistical pattern recognition is a very active area of study andresearch, which has seen
many advances in recent years. New andemerging applications-such as data mining, web …

[PDF][PDF] ROC graphs: Notes and practical considerations for researchers

T Fawcett - Machine learning, 2004 - Citeseer
Receiver Operating Characteristics (ROC) graphs are a useful technique for organizing
classifiers and visualizing their performance. ROC graphs are commonly used in medical …

Roc 'n'rule learning—towards a better understanding of covering algorithms

J Fürnkranz, PA Flach - Machine learning, 2005 - Springer
This paper provides an analysis of the behavior of separate-and-conquer or covering rule
learning algorithms by visualizing their evaluation metrics and their dynamics in coverage …

Fuzzy neighborhood covering for three-way classification

XD Yue, YF Chen, DQ Miao, H Fujita - Information Sciences, 2020 - Elsevier
Neighborhood Covering (NC) is the union of homogeneous neighborhoods and provides a
set-level approximation of data distribution. Because of the nonparametric property and the …

[PDF][PDF] Information, Divergence and Risk for Binary Experiments.

MD Reid, RC Williamson - Journal of Machine Learning Research, 2011 - jmlr.org
We unify f-divergences, Bregman divergences, surrogate regret bounds, proper scoring
rules, cost curves, ROC-curves and statistical information. We do this by systematically …