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 …

Critical assessment of AI in drug discovery

WP Walters, R Barzilay - Expert opinion on drug discovery, 2021 - Taylor & Francis
ABSTRACT Introduction: Artificial Intelligence (AI) has become a component of our everyday
lives, with applications ranging from recommendations on what to buy to the analysis of …

Morphological profiling of small molecules

S Ziegler, S Sievers, H Waldmann - Cell chemical biology, 2021 - cell.com
Profiling approaches such as gene expression or proteome profiling generate small-
molecule bioactivity profiles that describe a perturbed cellular state in a rather unbiased …

Phenotypic profiling of reference chemicals across biologically diverse cell types using the cell painting assay

C Willis, J Nyffeler, J Harrill - SLAS DISCOVERY: Advancing …, 2020 - journals.sagepub.com
Cell Painting is a high-throughput phenotypic profiling assay that uses fluorescent
cytochemistry to visualize a variety of organelles and high-content imaging to derive a large …

A phenomics approach for antiviral drug discovery

J Rietdijk, M Tampere, A Pettke, P Georgiev, M Lapins… - BMC biology, 2021 - Springer
Background The emergence and continued global spread of the current COVID-19
pandemic has highlighted the need for methods to identify novel or repurposed therapeutic …

Pharmacogenomics of breast cancer: highlighting CYP2D6 and tamoxifen

CWH Chan, BMH Law, WKW So, KM Chow… - Journal of cancer …, 2020 - Springer
Purpose To review recent pharmacogenomics studies on breast cancer patients undergoing
tamoxifen therapy, highlighting how our knowledge on cytochrome P450 2D6 (CYP2D6) can …

Eco-friendly synthesis of new olanzapine derivatives and evaluation of their anticancer potential

AK Drabczyk, D Kułaga, P Zaręba, W Tylińska… - RSC …, 2023 - pubs.rsc.org
New derivatives of the known antipsychotic drug olanzapine have been obtained as
potential compounds with anticancer activity in two metabolically different breast cancer cell …

Selection of optimal cell lines for high-content phenotypic screening

L Heinrich, K Kumbier, L Li, SJ Altschuler… - ACS chemical …, 2023 - ACS Publications
High-content microscopy offers a scalable approach to screen against multiple targets in a
single pass. Prior work has focused on methods to select “optimal” cellular readouts in …

In vitro predictions of acute fish toxicity for development of sustainable crop protection products

T Lunsman, G Harwood, A Lehman… - Journal of Agricultural …, 2024 - ACS Publications
New agrochemicals must demonstrate safety to numerous ecological systems, including
aquatic systems, and aquatic vertebrate toxicity is typically evaluated by using the in vivo …

[HTML][HTML] Morphological profiling of environmental chemicals enables efficient and untargeted exploration of combination effects

J Rietdijk, T Aggarwal, P Georgieva, M Lapins… - Science of the Total …, 2022 - Elsevier
Environmental chemicals are commonly studied one at a time, and there is a need to
advance our understanding of the effect of exposure to their combinations. Here we apply …