Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
The elucidation of protein structure and function plays a pivotal role in understanding biological processes and facilitating drug discovery. With the exponential growth of protein sequence data, machine learning techniques have emerged as powerful t...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
G protein-coupled receptors (GPCRs) are key molecules involved in cellular signaling and are attractive targets for pharmacological intervention. This chapter is designed to explore the range of algorithms used to predict GPCRs' activation states, wh...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
Quantification of lymphoid aggregates including tertiary lymphoid structures (TLS) with germinal centers in histology images of cancer is a promising approach for developing prognostic and predictive tissue biomarkers. In this article, we provide rec...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
Machine learning is a powerful tool for analyzing biological data and making useful predictions. The surge of biological data from high-throughput omics technologies has raised the need for modeling approaches capable of tackling such amounts of data...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
In fission yeast (Schizosaccharomyces pombe), cell length is a crucial indicator of cell cycle progression. Microscopy screens that examine the effect of agents or genotypes suspected of altering genomic or metabolic stability and thus cell size are ...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
Developmental toxicity is key human health endpoint, especially relevant for safeguarding maternal and child well-being. It is an object of increasing attention from international regulatory bodies such as the US EPA (US Environmental Protection Agen...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
MolPredictX is a free-access web tool in which it is possible to analyze the prediction of biological activity of chemical molecules. MolPredictX has been available online to the general public for just over a year and has now gone through its first ...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
Machine learning (ML) has increasingly been applied to predict properties of drugs. Particularly, metabolism can be predicted with ML methods, which can be exploited during drug discovery and development. The prediction of metabolism is a crucial bot...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
In the rapidly evolving landscape of artificial intelligence (AI) and machine learning (ML), understanding and correctly applying the concept of the applicability domain (AD) has emerged as an essential part. This chapter begins with an introduction ...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2025
The recent advancements in machine learning and the new availability of large chemical datasets made the development of tools and protocols for computational chemistry a topic of high interest. In this chapter a standard procedure to develop Quantita...