Results 31 to 40 of about 104,482 (285)

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

Genetic control of a central pattern generator: rhythmic oromotor movement in mice is controlled by a major locus near Atp1a2. [PDF]

PLoS ONE, 2012
Fluid licking in mice is a rhythmic behavior that is controlled by a central pattern generator (CPG) located in a complex of brainstem nuclei. C57BL/6J (B6) and DBA/2J (D2) strains differ significantly in water-restricted licking, with a highly heritable
John D Boughter, Megan K Mulligan, Steven J St John, Kenichi Tokita, Lu Lu, Detlef H Heck, Robert W Williams   +6 more
doaj   +1 more source

Semaphorin7A: its role in the control of serotonergic circuits and functional recovery following spinal cord injury

Neural Regeneration Research, 2022
Serotonin is a monoamine neurotransmitter synthetized in various populations of brainstem neurons. In the spinal cord, descending serotonergic projections regulate postural muscle tone, locomotion and rhythm and coordination of movements via the Central ...
Julie Fourneau, Florence M Bareyre
doaj   +1 more source

Triboelectric-induced ion mobility for artificial intelligence-enhanced mid-infrared gas spectroscopy

Nature Communications, 2023
Isopropyl alcohol molecules, as a biomarker for anti-virus diagnosis, play a significant role in the area of environmental safety and healthcare relating volatile organic compounds. However, conventional gas molecule detection exhibits dramatic drawbacks,
Jianxiong Zhu, Shanling Ji, Zhihao Ren, Wenyu Wu, Zhihao Zhang, Zhonghua Ni, Lei Liu, Zhisheng Zhang, Aiguo Song, Chengkuo Lee   +9 more
doaj   +1 more source

Generative Pre-Training from Molecules [PDF]

, 2021
SMILES is a line notation for entering and representing molecules. Being inherently a language construct, it allows estimating molecular data in a self-supervised fashion by employing machine learning methods for natural language processing (NLP).
openaire   +1 more source

Using radio astronomical receivers for molecular spectroscopic characterization in astrochemical laboratory simulations: A proof of concept [PDF]

, 2017
We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactorsand the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics.
Agúndez, M., Alemán, B., Alonso, J. L., Castellanos, M., Cernicharo, J., de Vicente, P., Doménech, J. L., Díaz-Pulido, A., Gallego, J. D., Goicoechea, J. R., Gómez-González, J., Hernández, J. M., Herrero, V. J., Jiménez, E., Joblin, C., Lauwaet, K., López, J. A., López-Pérez, J. A., Makasheva, K., Martín-Gago, J. A., Martínez, L., Moreno, E., Pardo, J. R., Peláez, R. J., Santoro, G., Sobrado, J. M., Tanarro, I., Tercero, F., Teyssier, D.   +28 more
core   +1 more source

Antenna molecule drives solar hydrogen generation [PDF]

Proceedings of the National Academy of Sciences, 2015
It would be convenient if gigantic reservoirs of molecular hydrogen H2(g) existed in the earth’s crust that could be safely tapped as an energy source. Instead, most hydrogen found near the earth’s surface is bound up in water as protons, H+(aq) that must be reduced before utilization as a fuel (1). When the electrons for proton reduction come from the
openaire   +2 more sources

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics

Journal of Cheminformatics, 2021
Many contemporary cheminformatics methods, including computer-aided de novo drug design, hold promise to significantly accelerate and reduce the cost of drug discovery.
M. Sicho, X. Liu, D. Svozil, G. J. P. van Westen   +3 more
doaj   +1 more source

Efficiency of Energy Transduction in a Molecular Chemical Engine

, 2006
A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor.
Alberts B., Astumian R. D., Astumian R. D., Astumian R. D., Astumian R. D., Bustamante C., Derényi I., Hill T. L., Itoh H., Jülicher F., Kinosita K., Lattanzi G., Lipowsky R., Lipowsky R., Noji H., Oosawa F., Parmeggiani A., Prost J., Reimann P., Rondelez Y., Sakaguchi H., Sasaki K., Sun S. X., Wang H., Wang H., Wang H., Woo H. J., Woo H. J., Xing J., Xing J., Xing J., Yasuda R.   +31 more
core   +1 more source

Advantage of ethanol fuel for gas generator cycle air turbo ramjet engine [PDF]

, 2016
Performance analyses of Gas Generator cycle Air Turbo Ramjet (GG-ATR) engine are conducted to investigate the feasibility of ethanol fuel, as comparing Liquefied Hydrogen (LH2), Liquefied Natural Gas (LNG), and n-C12H26.
MINATO Ryojiro
core   +2 more sources