Results 41 to 50 of about 250,300 (327)

Digital Discovery of Synthesizable Metal−Organic Frameworks via Molecular Dynamics‑Informed, High‑Fidelity Deep Learning

open access: yesAdvanced Functional Materials, EarlyView.
Tabular foundation model interrogates the synthetic likelihood of metal−organic frameworks. Abstract Metal–organic frameworks (MOFs) are celebrated for their chemical and structural versatility, and in‑silico screening has significantly accelerated their discovery; yet most hypothetical MOFs (hMOFs) never reach the bench because their synthetic ...
Xiaoyu Wu   +3 more
wiley   +1 more source

Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI

open access: yesJournal of Cheminformatics, 2012
Background There are two line notations of chemical structures that have established themselves in the field: the SMILES string and the InChI string.
O’Boyle Noel M
doaj   +1 more source

Analysis of gingival display during static and dynamic smiles in a Turkish sample: a clinical study

open access: yesEuropean Oral Research, 2022
Purpose: The aim of this study is to determine the prevalence of smile types in spontaneous smiles among a Turkish population aged 18–23 and to compare it with the prevalence of static smiles.
Özge Arifağaoğlu, Ümran Yılmaz
doaj   +1 more source

Functional smiles: tools for love, sympathy, and war [PDF]

open access: yes, 2017
The smile is the most frequent facial expression, but not all smiles are equal. A social functional account holds that smiles of reward, affiliation, and dominance resolve basic social tasks, including rewarding behavior, social bonding, and hierarchy ...
Oliver, Garrod   +3 more
core   +1 more source

Rational Design of Printable Carbon Nanotube Transparent Conductive Films via Data‐Driven and Mechanistic Insights

open access: yesAdvanced Functional Materials, EarlyView.
A machine learning and simulation‐guided strategy is demonstrated for gentle, non‐sonication dispersion of carbon nanotubes, preserving structural integrity and performance. This approach enables transparent conductive films with low sheet resistance, high transmittance, and sub‐20 µm printability.
Ying Zhou   +7 more
wiley   +1 more source

GEN: highly efficient SMILES explorer using autodidactic generative examination networks

open access: yesJournal of Cheminformatics, 2020
Recurrent neural networks have been widely used to generate millions of de novo molecules in defined chemical spaces. Reported deep generative models are exclusively based on LSTM and/or GRU units and frequently trained using canonical SMILES.
Ruud van Deursen   +3 more
doaj   +1 more source

Auditory smiles trigger unconscious facial imitation [PDF]

open access: yes, 2018
Smiles, produced by the bilateral contraction of the zygomatic major muscles, are one of the most powerful expressions of positive affect and affiliation and also one of the earliest to develop [1]. The perception-action loop responsible for the fast and
Arias, Pablo   +2 more
core   +2 more sources

Artificial Intelligence as the Next Visionary in Liquid Crystal Research

open access: yesAdvanced Functional Materials, EarlyView.
The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam   +2 more
wiley   +1 more source

Differences in Facial Expressions between Spontaneous and Posed Smiles: Automated Method by Action Units and Three-Dimensional Facial Landmarks

open access: yesSensors, 2020
Research on emotion recognition from facial expressions has found evidence of different muscle movements between genuine and posed smiles. To further confirm discrete movement intensities of each facial segment, we explored differences in facial ...
Seho Park   +11 more
doaj   +1 more source

Highly Sensitive Oxidation‐Resistant Degradable Janus Piezoresistive Electronic Skin for Sustainable Wearable Electronics

open access: yesAdvanced Healthcare Materials, EarlyView.
This study presents a highly sensitive, oxidation‐resistant, biocompatible, and degradable Janus piezoresistive electronic skin for sustainable wearable electronics. The electronic skin exhibits sensitive and stable response across a broad pressure range, exceptional oxidation resistance, and Janus wettability.
Joon Kim   +5 more
wiley   +1 more source

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