Autonomous discovery in the chemical sciences part I: Progress

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 first part, we describe a classification for …

Autonomy in materials research: a case study in carbon nanotube growth

P Nikolaev, D Hooper, F Webber, R Rao… - npj Computational …, 2016 - nature.com
Advances in materials are an important contributor to our technological progress, and yet the
process of materials discovery and development itself is slow. Our current research process …

Accelerating high-throughput virtual screening through molecular pool-based active learning

DE Graff, EI Shakhnovich, CW Coley - Chemical science, 2021 - pubs.rsc.org
Structure-based virtual screening is an important tool in early stage drug discovery that
scores the interactions between a target protein and candidate ligands. As virtual libraries …

Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases

K Williams, E Bilsland, A Sparkes… - Journal of the …, 2015 - royalsocietypublishing.org
There is an urgent need to make drug discovery cheaper and faster. This will enable the
development of treatments for diseases currently neglected for economic reasons, such as …

Self-establishing communities enable cooperative metabolite exchange in a eukaryote

K Campbell, J Vowinckel, M Mülleder, S Malmsheimer… - Elife, 2015 - elifesciences.org
Metabolite exchange among co-growing cells is frequent by nature, however, is not
necessarily occurring at growth-relevant quantities indicative of non-cell-autonomous …

Discovery of Wall-Selective Carbon Nanotube Growth Conditions via Automated Experimentation

P Nikolaev, D Hooper, N Perea-Lopez, M Terrones… - ACS …, 2014 - ACS Publications
Applications of carbon nanotubes continue to advance, with substantial progress in
nanotube electronics, conductive wires, and transparent conductors to name a few …

Yeast cellular stress: impacts on bioethanol production

J Eardley, DJ Timson - Fermentation, 2020 - mdpi.com
Bioethanol is the largest biotechnology product and the most dominant biofuel globally.
Saccharomyces cerevisiae is the most favored microorganism employed for its industrial …

[HTML][HTML] Plasmodium dihydrofolate reductase is a second enzyme target for the antimalarial action of triclosan

E Bilsland, L Van Vliet, K Williams, J Feltham… - Scientific Reports, 2018 - nature.com
Malaria, caused by parasites of the genus Plasmodium, leads to over half a million deaths
per year, 90% of which are caused by Plasmodium falciparum. P. vivax usually causes …

Identifying inhibitors of the Leishmania inositol phosphorylceramide synthase with antiprotozoal activity using a yeast-based assay and ultra-high throughput …

JL Norcliffe, JG Mina, E Alvarez, J Cantizani… - Scientific reports, 2018 - nature.com
Abstract Leishmaniasis is a Neglected Tropical Disease caused by the insect-vector borne
protozoan parasite, Leishmania species. Infection affects millions of the world's poorest …

Development of NanoLuc-PEST expressing Leishmania mexicana as a new drug discovery tool for axenic- and intramacrophage-based assays

SL Berry, H Hameed, A Thomason… - PLoS Neglected …, 2018 - journals.plos.org
The protozoan parasite Leishmania causes leishmaniasis; a spectrum of diseases of which
there are an estimated 1 million new cases each year. Current treatments are toxic …