A data science roadmap for open science organizations engaged in early-stage drug discovery

K Edfeldt, AM Edwards, O Engkvist, J Günther… - Nature …, 2024 - nature.com
Abstract The Structural Genomics Consortium is an international open science research
organization with a focus on accelerating early-stage drug discovery, namely hit discovery …

Materials data science: current status and future outlook

SR Kalidindi, M De Graef - Annual Review of Materials Research, 2015 - annualreviews.org
The field of materials science and engineering is on the cusp of a digital data revolution.
After reviewing the nature of data science and Big Data, we discuss the features of materials …

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace

N Singh, L Chaput, BO Villoutreix - Briefings in bioinformatics, 2021 - academic.oup.com
The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …

In silico repositioning of approved drugs for rare and neglected diseases

S Ekins, AJ Williams, MD Krasowski, JS Freundlich - Drug discovery today, 2011 - Elsevier
One approach to speed up drug discovery is to examine new uses for existing approved
drugs, so-called 'drug repositioning'or 'drug repurposing', which has become increasingly …

Recent advancements in the development of anti-tuberculosis drugs

S Chetty, M Ramesh, A Singh-Pillay… - Bioorganic & medicinal …, 2017 - Elsevier
Modern chemotherapy has significantly improved patient outcomes against drug-sensitive
tuberculosis. However, the rapid emergence of drug-resistant tuberculosis, together with the …

In silico drug repositioning–what we need to know

Z Liu, H Fang, K Reagan, X Xu, DL Mendrick… - Drug discovery today, 2013 - Elsevier
Drug repositioning, exemplified by sildenafil and thalidomide, is a promising way to explore
alternative indications for existing drugs. Recent research has shown that bioinformatics …

[LIVRE][B] Healthcare data analytics

CK Reddy, CC Aggarwal - 2015 - books.google.com
Supplying a comprehensive overview of healthcare analytics research, Healthcare Data
Analytics provides an understanding of the analytical techniques currently available to solve …

Data-driven medicinal chemistry in the era of big data

SJ Lusher, R McGuire, RC van Schaik… - Drug discovery today, 2014 - Elsevier
Science, and the way we undertake research, is changing. The increasing rate of data
generation across all scientific disciplines is providing incredible opportunities for data …

Targeting Phenotypically Tolerant Mycobacterium tuberculosis

B Gold, C Nathan - Tuberculosis and the Tubercle Bacillus, 2017 - Wiley Online Library
Two parallel revolutions were born in the golden era of antibiotics (~ 1940 to 1960). One
was a revolution in medicine as physicians went to war with microbes. The second was a …