Highlights•We review machine learning methods/tools relevant to ligand-based virtual
screening.•Machine learning methods classify compounds and predict new active …

Recurrent floods are one of the major global threats among people, particularly in
developing countries like India, as this nation has a tropical monsoon type of climate …

Abstract New Approach Methodologies (NAMs) have ushered in a new era in the field of
toxicology, aiming to replace animal testing. However, despite these advancements, they …

Machine learning classification algorithms are widely used for the prediction and
classification of the different properties of molecules such as toxicity or biological activity …

Industrial Applications of Machine Learning shows how machine learning can be applied to
address real-world problems in the fourth industrial revolution, and provides the required …

This paper shows how one can directly apply natural language processing (NLP) methods
to classification problems in cheminformatics. Connection between these seemingly …

Real-time water quality monitoring is a complex system as it involves many quality
parameters to be monitored, the nature of these parameters, and non-linear …

Development of landslide predictive models with strong prediction power has become a
major focus of many researchers. This study describes the first application of the Hyperpipes …

Background The paper presents a thorough analysis of the influence of the number of
negative training examples on the performance of machine learning methods. Results The …

Abstract Process Systems Engineering (PSE) is now a mature field with a well-established
body of knowledge, computational-oriented frameworks and methodologies designed and …