Concepts of artificial intelligence for computer-assisted drug discovery
X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …
opportunities for the discovery and development of innovative drugs. Various machine …
Artificial intelligence and machine learning in pathology: the present landscape of supervised methods
HH Rashidi, NK Tran, EV Betts… - Academic …, 2019 - journals.sagepub.com
Increased interest in the opportunities provided by artificial intelligence and machine
learning has spawned a new field of health-care research. The new tools under …
learning has spawned a new field of health-care research. The new tools under …
Applications of artificial intelligence and machine learning algorithms to crystallization
Artificial intelligence and specifically machine learning applications are nowadays used in a
variety of scientific applications and cutting-edge technologies, where they have a …
variety of scientific applications and cutting-edge technologies, where they have a …
Improving protein-protein interactions prediction accuracy using XGBoost feature selection and stacked ensemble classifier
Protein-protein interactions (PPIs) are involved with most cellular activities at the proteomic
level, making the study of PPIs necessary to comprehending any biological process …
level, making the study of PPIs necessary to comprehending any biological process …
Machine-learning approaches in drug discovery: methods and applications
A Lavecchia - Drug discovery today, 2015 - Elsevier
Highlights•We review machine learning methods/tools relevant to ligand-based virtual
screening.•Machine learning methods classify compounds and predict new active …
screening.•Machine learning methods classify compounds and predict new active …
LightGBM-PPI: Predicting protein-protein interactions through LightGBM with multi-information fusion
Protein-protein interactions (PPIs) play an important role in cell life activities such as
transcriptional regulation, signal transduction and drug signal transduction. The study of …
transcriptional regulation, signal transduction and drug signal transduction. The study of …
Taking the leap between analytical chemistry and artificial intelligence: A tutorial review
The last 10 years have witnessed the growth of artificial intelligence into different research
areas, emerging as a vibrant discipline with the capacity to process large amounts of …
areas, emerging as a vibrant discipline with the capacity to process large amounts of …
Machine learning methods in chemoinformatics
JBO Mitchell - Wiley Interdisciplinary Reviews: Computational …, 2014 - Wiley Online Library
Machine learning algorithms are generally developed in computer science or adjacent
disciplines and find their way into chemical modeling by a process of diffusion. Though …
disciplines and find their way into chemical modeling by a process of diffusion. Though …
Recent advances in machine-learning-based chemoinformatics: a comprehensive review
In modern drug discovery, the combination of chemoinformatics and quantitative structure–
activity relationship (QSAR) modeling has emerged as a formidable alliance, enabling …
activity relationship (QSAR) modeling has emerged as a formidable alliance, enabling …
Computer-aided drug design and drug discovery: a prospective analysis
In the dynamic landscape of drug discovery, Computer-Aided Drug Design (CADD) emerges
as a transformative force, bridging the realms of biology and technology. This paper …
as a transformative force, bridging the realms of biology and technology. This paper …