Results 181 to 190 of about 634,961 (244)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Sociotechnical-systems analysis of IoT-AI convergence in cosmetic health. [PDF]

Front Med (Lausanne)
Makhseed A, Arian H, Shuaib A.
europepmc   +1 more source

A Bi-lingual chatbot implementation for pandemic response using the transformer-based approach. [PDF]

PLOS Digit Health
Atwine MT, Jjingo D, Nsubuga M, Serunjogi R, Mbabaali I, Lujumba I, David B, Kintu T, Galiwango R, Grace K.   +9 more
europepmc   +1 more source

A handheld near infrared scanner for the detection of acute traumatic intracranial hemorrhage. [PDF]

Sci Rep
D'Amario S, Bougadis J, Coverdale NS, Hoffman B, Nashed JY, Riley JD, Cook DJ.   +6 more
europepmc   +1 more source

Developing a Thai User Interface Terminology for Systematized Nomenclature of Medicine Clinical Terms Implementation in Primary Care: Cross-Sectional Content Coverage Analysis.

JMIR Med Inform
Tangchitnob N, Ponthongmak W, Kijsanayotin B, Pattanaprateep O, Phusanti S, Atiksawedparit P, Suwanthaweemeesuk K, Siangfu J, McKay GJ, Attia J, Thakkinstian A.   +10 more
europepmc   +1 more source

Numerical investigation of vanadium distill-condensation <i>via</i> computational fluid dynamics. [PDF]

RSC Adv
Yang Z, Fan Y, Zhang Y, Zheng Q, Liu P, Huang J.   +5 more
europepmc   +1 more source

Development and Formative Usability Evaluation of a Theory-Driven Progressive Web Application for Young Adult Wellness Engagement (MiCARE): Protocol for a Mixed Methods Study.

JMIR Res Protoc
Thanthrige A, Wickramasinghe N.
europepmc   +1 more source

VirPhyKit: An Integrated Toolkit for Viral Phylogeographic Analysis. [PDF]

Ecol Evol
Yin Y, Shen J, Du Z, Ho SYW, Gao F.
europepmc   +1 more source