Results 21 to 30 of about 30,350 (257)

Expanding the use of ethanol as a feedstock for cell-free synthetic biochemistry by implementing acetyl-CoA and ATP generating pathways

Scientific Reports, 2022
Ethanol is a widely available carbon compound that can be increasingly produced with a net negative carbon balance. Carbon-negative ethanol might therefore provide a feedstock for building a wider range of sustainable chemicals.
Hongjiang Liu, Mark A. Arbing, James U. Bowie   +2 more
doaj   +1 more source

Measuring Intracellular H2O2 in Intact Human Cells Using the Genetically Encoded Fluorescent Sensor HyPer7

Bio-Protocol, 2022
Depending on its local concentration, hydrogen peroxide (H2O2) can serve as a cellular signaling molecule but can also cause damage to biomolecules.
Lianne Jacobs, Michaela Hoehne, Jan Riemer   +2 more
doaj   +1 more source

In-situ electro-responsive through-space coupling enabling foldamers as volatile memory elements

Nature Communications, 2023
Voltage-gated processing units are fundamental components for non-von Neumann architectures like memristor and electric synapses, on which nanoscale molecular electronics have possessed great potentials.
Jinshi Li, Pingchuan Shen, Zeyan Zhuang, Junqi Wu, Ben Zhong Tang, Zujin Zhao   +5 more
doaj   +1 more source

Diversity oriented Deep Reinforcement Learning for targeted molecule generation

Journal of Cheminformatics, 2021
In this work, we explore the potential of deep learning to streamline the process of identifying new potential drugs through the computational generation of molecules with interesting biological properties.
Tiago Pereira, Maryam Abbasi, Bernardete Ribeiro, Joel P. Arrais   +3 more
doaj   +1 more source

Learned Feature Generation for Molecules [PDF]

, 2018
When classifying molecules for virtual screening, the molecular structure first needs to be converted into meaningful features, before a classifier can be trained. The most common methods use a static algorithm that has been created based on domain knowledge to perform this generation of features. We propose an approach where this conversion is learned
Winter, Patrick, Borgelt, Christian, Berthold, Michael R.   +2 more
openaire   +2 more sources

A Light-Up Probe for Detection of Adenosine in Urine Samples by a Combination of an AIE Molecule and an Aptamer

Sensors, 2017
A light-up fluorescent probe for the detection of adenosine was constructed with an AIE (aggregation-induced emission) molecule and a DNA aptamer. The AIE molecule was used as a signal generator, and the DNA aptamer was used as a recognition element for ...
Yingying Hu, Jingjing Liu, Xiangyu You, Can Wang, Zhen Li, Weihong Xie   +5 more
doaj   +1 more source

Dynamic nanoassemblies derived from small-molecule homodimeric prodrugs for in situ drug activation and safe osteosarcoma treatment

iScience, 2023
Summary: Supramolecular prodrug self-assembly is a cost-effective and powerful approach for creating injectable anticancer nanoassemblies. Herein, we describe the self-assembly of small-molecule prodrug nanotherapeutics for tumor-restricted pharmacology ...
Jian Wang, Peirong Xu, Yeyong Zhang, Shuai Han, Gongteng Wang, Hangxiang Wang, Haihan Song, Shufeng Li   +7 more
doaj   +1 more source

Equivariant Diffusion for Molecule Generation in 3D

CoRR, 2022
Accepted at International Conference on Machine Learning (ICML ...
Hoogeboom, Emiel, Satorras, Victor Garcia, Vignac, Clement, Welling, Max   +3 more
openaire   +4 more sources

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

Journal of Cheminformatics, 2022
A plethora of AI-based techniques now exists to conduct de novo molecule generation that can devise molecules conditioned towards a particular endpoint in the context of drug design.
Morgan Thomas, Noel M. O’Boyle, Andreas Bender, Chris de Graaf   +3 more
doaj   +1 more source

The Synthesizability of Molecules Proposed by Generative Models [PDF]

Journal of Chemical Information and Modeling, 2020
The discovery of functional molecules is an expensive and time-consuming process, exemplified by the rising costs of small molecule therapeutic discovery. One class of techniques of growing interest for early-stage drug discovery is de novo molecular generation and optimization, catalyzed by the development of new deep learning approaches.
Wenhao Gao 0001, Connor W. Coley
openaire   +5 more sources