Artificial intelligence in microbial natural product drug discovery: current and emerging role

VJ Sahayasheela, MB Lankadasari, VM Dan… - Natural product …, 2022 - pubs.rsc.org
Covering: up to the end of 2022 Microorganisms are exceptional sources of a wide array of
unique natural products and play a significant role in drug discovery. During the golden era …

In silico cancer research towards 3R

C Jean-Quartier, F Jeanquartier, I Jurisica, A Holzinger - BMC cancer, 2018 - Springer
Background Improving our understanding of cancer and other complex diseases requires
integrating diverse data sets and algorithms. Intertwining in vivo and in vitro data and in …

[HTML][HTML] NeoDTI: neural integration of neighbor information from a heterogeneous network for discovering new drug–target interactions

F Wan, L Hong, A Xiao, T Jiang, J Zeng - Bioinformatics, 2019 - academic.oup.com
Results Inspired by recent advance of information passing and aggregation techniques that
generalize the convolution neural networks to mine large-scale graph data and greatly …

Revolutionizing pharmaceutical research: harnessing machine learning for a paradigm shift in drug discovery

A Husnain, S Rasool, A Saeed… - International Journal of …, 2023 - jurnal.itscience.org
The fusion of machine learning (ML) and artificial intelligence (AI) is experiencing a dramatic
transition in the field of pharmaceutical research and development. This study examines the …

Beyond the 3Rs: Expanding the use of human-relevant replacement methods in biomedical research

K Herrmann, F Pistollato, ML Stephens - ALTEX-Alternatives to animal …, 2019 - altex.org
This year marks the 60 th anniversary of Russell and Burch's pioneering book, The
Principles of Humane Experimental Technique. Their 3Rs framework has helped to inspire …

[HTML][HTML] Adverse outcome pathways: application to enhance mechanistic understanding of neurotoxicity

A Bal-Price, MEB Meek - Pharmacology & therapeutics, 2017 - Elsevier
Recent developments have prompted the transition of empirically based testing of late stage
toxicity in animals for a range of different endpoints including neurotoxicity to more efficient …

IMCHGAN: inductive matrix completion with heterogeneous graph attention networks for drug-target interactions prediction

J Li, J Wang, H Lv, Z Zhang… - IEEE/ACM Transactions …, 2021 - ieeexplore.ieee.org
Identification of targets among known drugs plays an important role in drug repurposing and
discovery. Computational approaches for prediction of drug–target interactions (DTIs) are …

Gradient boosting decision tree-based method for predicting interactions between target genes and drugs

P Xuan, C Sun, T Zhang, Y Ye, T Shen, Y Dong - Frontiers in genetics, 2019 - frontiersin.org
Determining the target genes that interact with drugs—drug–target interactions—plays an
important role in drug discovery. Identification of drug–target interactions through biological …

Advances in microfluidics‐based assisted reproductive technology: From sperm sorter to reproductive system‐on‐a‐chip

N Kashaninejad, MJA Shiddiky… - Advanced …, 2018 - Wiley Online Library
The fields of assisted reproductive technology (ART) and in vitro fertilization (IVF) have
progressed rapidly, yet still need further improvements. Microfluidic technology can …

Mechanically biomimetic gelatin–gellan gum hydrogels for 3D culture of beating human cardiomyocytes

JT Koivisto, C Gering, J Karvinen… - … applied materials & …, 2019 - ACS Publications
To promote the transition of cell cultures from 2D to 3D, hydrogels are needed to biomimic
the extracellular matrix (ECM). One potential material for this purpose is gellan gum (GG), a …