A guide to machine learning for biologists

JG Greener, SM Kandathil, L Moffat… - Nature reviews Molecular …, 2022 - nature.com
The expanding scale and inherent complexity of biological data have encouraged a growing
use of machine learning in biology to build informative and predictive models of the …

Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Machine learning in drug discovery: a review

S Dara, S Dhamercherla, SS Jadav, CHM Babu… - Artificial intelligence …, 2022 - Springer
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …

Self-normalizing neural networks

G Klambauer, T Unterthiner, A Mayr… - Advances in neural …, 2017 - proceedings.neurips.cc
Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and
natural language processing via recurrent neural networks (RNNs). However, success …

Artificial intelligence in drug discovery and development

KK Mak, YH Wong, MR Pichika - Drug discovery and evaluation: safety …, 2024 - Springer
This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …

ProTox-II: a webserver for the prediction of toxicity of chemicals

P Banerjee, AO Eckert, AK Schrey… - Nucleic acids …, 2018 - academic.oup.com
Advancement in the field of computational research has made it possible for the in silico
methods to offer significant benefits to both regulatory needs and requirements for risk …

Opportunities and obstacles for deep learning in biology and medicine

T Ching, DS Himmelstein… - Journal of the …, 2018 - royalsocietypublishing.org
Deep learning describes a class of machine learning algorithms that are capable of
combining raw inputs into layers of intermediate features. These algorithms have recently …

ChemCrow: Augmenting large-language models with chemistry tools

AM Bran, S Cox, O Schilter, C Baldassari… - arxiv preprint arxiv …, 2023 - arxiv.org
Over the last decades, excellent computational chemistry tools have been developed.
Integrating them into a single platform with enhanced accessibility could help reaching their …

[HTML][HTML] The rise of deep learning in drug discovery

H Chen, O Engkvist, Y Wang, M Olivecrona… - Drug discovery today, 2018 - Elsevier
Highlights•Deep learning technology has gained remarkable success.•We highlight the
recent applications of deep learning in drug discovery research.•Some popular deep …

The rise of artificial intelligence in healthcare applications

A Bohr, K Memarzadeh - Artificial Intelligence in healthcare, 2020 - Elsevier
Big data and machine learning are having an impact on most aspects of modern life, from
entertainment, commerce, and healthcare. Netflix knows which films and series people …