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 …

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 …

QSAR without borders

EN Muratov, J Bajorath, RP Sheridan… - Chemical Society …, 2020 - pubs.rsc.org
Prediction of chemical bioactivity and physical properties has been one of the most
important applications of statistical and more recently, machine learning and artificial …

Map** the landscape of artificial intelligence applications against COVID-19

J Bullock, A Luccioni, KH Pham, CSN Lam… - Journal of Artificial …, 2020 - jair.org
COVID-19, the disease caused by the SARS-CoV-2 virus, has been declared a pandemic by
the World Health Organization, which has reported over 18 million confirmed cases as of …

A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

TN Jarada, JG Rokne, R Alhajj - Journal of cheminformatics, 2020 - Springer
Drug repositioning is the process of identifying novel therapeutic potentials for existing drugs
and discovering therapies for untreated diseases. Drug repositioning, therefore, plays an …

The BioGRID interaction database: 2019 update

R Oughtred, C Stark, BJ Breitkreutz, J Rust… - Nucleic acids …, 2019 - academic.oup.com
Abstract The Biological General Repository for Interaction Datasets (BioGRID:
https://thebiogrid. org) is an open access database dedicated to the curation and archival …

Disease severity-specific neutrophil signatures in blood transcriptomes stratify COVID-19 patients

AC Aschenbrenner, M Mouktaroudi, B Krämer… - Genome medicine, 2021 - Springer
Abstract Background The SARS-CoV-2 pandemic is currently leading to increasing numbers
of COVID-19 patients all over the world. Clinical presentations range from asymptomatic …

CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean

C Lyu, T Chen, B Qiang, N Liu, H Wang… - Nucleic Acids …, 2021 - academic.oup.com
Marine organisms are expected to be an important source of inspiration for drug discovery
after terrestrial plants and microorganisms. Despite the remarkable progress in the field of …

Target identification among known drugs by deep learning from heterogeneous networks

X Zeng, S Zhu, W Lu, Z Liu, J Huang, Y Zhou… - Chemical …, 2020 - pubs.rsc.org
Without foreknowledge of the complete drug target information, development of promising
and affordable approaches for effective treatment of human diseases is challenging. Here …

Autonomous discovery in the chemical sciences part II: outlook

CW Coley, NS Eyke, KF Jensen - … Chemie International Edition, 2020 - Wiley Online Library
This two‐part Review examines how automation has contributed to different aspects of
discovery in the chemical sciences. In this second part, we reflect on a selection of …