Results 51 to 60 of about 252,758 (328)
GEN: highly efficient SMILES explorer using autodidactic generative examination networks
Journal 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
Multimodal Cross‐Attentive Graph‐Based Framework for Predicting In Vivo Endocrine Disruptors
Advanced Science, EarlyView.A multimodal cross‐attentive graph neural network integrates molecular graphs with androgen and estrogen adverse outcome pathway (AOP)–anchored in vitro assay signals to predict in vivo endocrine disruption. By fusing information on Tier‐1 AOP logits with chemical structures, the framework achieves high accuracy and provides assay‐traceable ...
Eder Soares de Almeida Santos +6 more
wiley +1 more source
Quantum pricing with a smile: implementation of local volatility model on quantum computer [PDF]
, 2022 Kazuya Kaneko +3 more
openalex +1 more source
The Annals of Family Medicine, 2015 In an impoverished outreach clinic in Beirut, a young boy's unique thank you answers a physician's questions about the meaning of her profession.
openaire +2 more sources
Effects of Dynamic Attributes of Smiles in Human and Synthetic Faces: A Simulated Job Interview Setting [PDF]
, 2018 We examined the effects of the temporal quality of smile displays on impressions and decisions made in a simulated job interview. We also investigated whether similar judgments were made in response to synthetic (Study 1) and human facial stimuli (Study ...
Cosker, Darren +4 more
core
A novel methodology on distributed representations of proteins using their interacting ligands
, 2018 The effective representation of proteins is a crucial task that directly affects the performance of many bioinformatics problems. Related proteins usually bind to similar ligands.
Ozkirimli, Elif +2 more
core +1 more source
Advanced Science, EarlyView.Hydrogel‐based wearable electronics hold great promise for physiological monitoring in privacy‐sensitive regions. In this study, a polyurethane (PU) microfiber‐reinforced gelatin hydrogel e‐skin is developed, boasting multiple advantages such as ultra‐thinness, high toughness, and long‐term skin conformability.
Yarong Ding +11 more
wiley +1 more source
Sensors, 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
MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning
Journal of Cheminformatics, 2021 The hit-to-lead process makes the physicochemical properties of the hit molecules that show the desired type of activity obtained in the screening assay more drug-like. Deep learning-based molecular generative models are expected to contribute to the hit-
Daiki Erikawa +2 more
doaj +1 more source
Dental Update, 2007 The aim of this article is to outline some of the factors practitioners should take into consideration when planning optimal smile aesthetics. The components of the smile that will be discussed include the smile arc, incisor/gingival display, smile width, gingival aesthetics, tooth proportionality/symmetry, contacts/connectors/embrasures and the ...
D S, Gill, F B, Naini, C J, Tredwin
openaire +3 more sources