Phenotypic drug discovery: recent successes, lessons learned and new directions

F Vincent, A Nueda, J Lee, M Schenone… - Nature Reviews Drug …, 2022 - nature.com
Many drugs, or their antecedents, were discovered through observation of their effects on
normal or disease physiology. For the past generation, this phenotypic drug discovery …

Machine learning methods in drug discovery

L Patel, T Shukla, X Huang, DW Ussery, S Wang - Molecules, 2020 - mdpi.com
The advancements of information technology and related processing techniques have
created a fertile base for progress in many scientific fields and industries. In the fields of drug …

A novel antibiotic class targeting the lipopolysaccharide transporter

C Zampaloni, P Mattei, K Bleicher, L Winther, C Thäte… - Nature, 2024 - nature.com
Carbapenem-resistant Acinetobacter baumannii (CRAB) has emerged as a major global
pathogen with limited treatment options. No new antibiotic chemical class with activity …

Accelerating antibiotic discovery through artificial intelligence

MCR Melo, JRMA Maasch… - Communications …, 2021 - nature.com
By targeting invasive organisms, antibiotics insert themselves into the ancient struggle of the
host-pathogen evolutionary arms race. As pathogens evolve tactics for evading antibiotics …

Deep learning in image-based phenotypic drug discovery

D Krentzel, SL Shorte, C Zimmer - Trends in Cell Biology, 2023 - cell.com
Modern drug discovery approaches often use high-content imaging to systematically study
the effect on cells of large libraries of chemical compounds. By automatically screening …

Disrupting 3D printing of medicines with machine learning

M Elbadawi, LE McCoubrey, FKH Gavins… - Trends in …, 2021 - cell.com
3D printing (3DP) is a progressive technology capable of transforming pharmaceutical
development. However, despite its promising advantages, its transition into clinical settings …

DeepBacs for multi-task bacterial image analysis using open-source deep learning approaches

C Spahn, E Gómez-de-Mariscal, RF Laine… - Communications …, 2022 - nature.com
This work demonstrates and guides how to use a range of state-of-the-art artificial neural-
networks to analyse bacterial microscopy images using the recently developed …

Predictive validity in drug discovery: what it is, why it matters and how to improve it

JW Scannell, J Bosley, JA Hickman… - Nature Reviews Drug …, 2022 - nature.com
Successful drug discovery is like finding oases of safety and efficacy in chemical and
biological deserts. Screens in disease models, and other decision tools used in drug …

Toward machine learning-enhanced high-throughput experimentation

NS Eyke, BA Koscher, KF Jensen - Trends in Chemistry, 2021 - cell.com
Recent literature suggests that the fields of machine learning (ML) and high-throughput
experimentation (HTE) have separately received considerable attention from chemists and …

Artificial intelligence as a smart approach to develop antimicrobial drug molecules: A paradigm to combat drug-resistant infections

A Talat, AU Khan - Drug Discovery Today, 2023 - Elsevier
Highlights•Artificial intelligence can combat AMR by discovering antibiotic alternatives.•AI is
fast, cost-efficient, minimum labour dependant strategy.•The chances of failure in AI based …