Image-based profiling for drug discovery: due for a machine-learning upgrade?
SN Chandrasekaran, H Ceulemans, JD Boyd… - Nature Reviews Drug …, 2021 - nature.com
Image-based profiling is a maturing strategy by which the rich information present in
biological images is reduced to a multidimensional profile, a collection of extracted image …
biological images is reduced to a multidimensional profile, a collection of extracted image …
Image-based cell phenotyping with deep learning
A cell's phenotype is the culmination of several cellular processes through a complex
network of molecular interactions that ultimately result in a unique morphological signature …
network of molecular interactions that ultimately result in a unique morphological signature …
Reinforcement learning for systems pharmacology-oriented and personalized drug design
RK Tan, Y Liu, L Xie - Expert opinion on drug discovery, 2022 - Taylor & Francis
Introduction Many multi-genic systemic diseases such as neurological disorders,
inflammatory diseases, and the majority of cancers do not have effective treatments yet …
inflammatory diseases, and the majority of cancers do not have effective treatments yet …
Deep learning applied to ligand-based de novo drug design
F Palazzesi, A Pozzan - Artificial intelligence in drug design, 2022 - Springer
In the latest years, the application of deep generative models to suggest virtual compounds
is becoming a new and powerful tool in drug discovery projects. The idea behind this review …
is becoming a new and powerful tool in drug discovery projects. The idea behind this review …
Applications of artificial intelligence in drug design: opportunities and challenges
Artificial intelligence (AI) has undergone rapid development in recent years and has been
successfully applied to real-world problems such as drug design. In this chapter, we review …
successfully applied to real-world problems such as drug design. In this chapter, we review …
GANs for molecule generation in drug design and discovery
The goal of drug design and discovery is to find new molecules with desirable properties. To
this end, molecule generation is usually employed to generate novel molecules to build a …
this end, molecule generation is usually employed to generate novel molecules to build a …
Deep painting: cheminformatics approaches to connect the biological profiles of compounds with their structural information
A Tandon - openscience.ub.uni-mainz.de
In this doctoral thesis, different research projects were carried out, with the underlying theme
of connecting the biological profiles of the compounds-determined by the morphological …
of connecting the biological profiles of the compounds-determined by the morphological …