Demand oriented factory planning through reference models

Fragment based drug design represents a promising drug discovery paradigm complimentary to the traditional HTS based lead generation strategy. How to link fragment structures to increase compound affinity is remaining a challenge task in this paradigm. Hereby a novel deep generative model (AutoLinker) for linking fragments is developed with the potential for applying in the fragment-based lead generation scenario. The state-of-the-art transformer architecture was employed to learn the linker grammar and generate novel linker. Our results show that, given starting fragments and user customized linker constraints, our AutoLinker model can design abundant drug-like molecules fulfilling these constraints and its performance was superior to other reference models. Moreover, several examples were showcased that AutoLinker can be useful tools for carrying out drug design tasks such as fragment linking, lead optimization and scaffold hopping.

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Faculty Opinions recommendation of Centromere reference models for human chromosomes X and Y satellite arrays.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.718266972.793501793 ◽

2014 ◽

Author(s):

Yamini Dalal ◽

Delphine Quenet

Keyword(s):

Human Chromosomes ◽

Reference Models

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Developing Dynamic Reference Models and a Decision Support Framework for Southeastern Ecosystems: An Integrated Approach

10.21236/ada626412 ◽

2015 ◽

Author(s):

L. K. Kirkman ◽

John K. Hiers A. ◽

L. L. Smith ◽

L. M. Conner ◽

S. L. Zeigler ◽

...

Keyword(s):

Decision Support ◽

Integrated Approach ◽

Reference Models ◽

Decision Support Framework

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A guide to choosing and implementing reference models for social network analysis

Biological Reviews ◽

10.1111/brv.12775 ◽

2021 ◽

Author(s):

Elizabeth A. Hobson ◽

Matthew J. Silk ◽

Nina H. Fefferman ◽

Daniel B. Larremore ◽

Puck Rombach ◽

...

Keyword(s):

Social Network ◽

Social Network Analysis ◽

Network Analysis ◽

Reference Models

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Neural Machine Translation for Semantic-Driven Q&A Systems in the Factory Planning

Procedia CIRP ◽

10.1016/j.procir.2021.01.044 ◽

2021 ◽

Vol 96 ◽

pp. 9-14

Author(s):

Uwe Dombrowski ◽

Alexander Reiswich ◽

Raphael Lamprecht

Keyword(s):

Machine Translation ◽

Neural Machine Translation ◽

Factory Planning

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Sex-Specific Associations between Blood Pressure and Risk of Atrial Fibrillation Subtypes in the Tromsø Study

Journal of Clinical Medicine ◽

10.3390/jcm10071514 ◽

2021 ◽

Vol 10 (7) ◽

pp. 1514

Author(s):

Hilde Espnes ◽

Jocasta Ball ◽

Maja-Lisa Løchen ◽

Tom Wilsgaard ◽

Inger Njølstad ◽

...

Keyword(s):

Atrial Fibrillation ◽

Blood Pressure ◽

Proportional Hazards ◽

Cox Proportional Hazards ◽

Pressure Management ◽

Reference Models ◽

Proportional Hazards Regression ◽

Hazard Ratios ◽

Increased Risk

The aim of this study was to explore sex-specific associations between systolic blood pressure (SBP), hypertension, and the risk of incident atrial fibrillation (AF) subtypes, including paroxysmal, persistent, and permanent AF, in a general population. A total of 13,137 women and 11,667 men who participated in the fourth survey of the Tromsø Study (1994–1995) were followed up for incident AF until the end of 2016. Cox proportional hazards regression analysis was conducted using fractional polynomials for SBP to provide sex- and AF-subtype-specific hazard ratios (HRs) for SBP. An SBP of 120 mmHg was used as the reference. Models were adjusted for other cardiovascular risk factors. Over a mean follow-up of 17.6 ± 6.6 years, incident AF occurred in 914 (7.0%) women (501 with paroxysmal/persistent AF and 413 with permanent AF) and 1104 (9.5%) men (606 with paroxysmal/persistent AF and 498 with permanent AF). In women, an SBP of 180 mmHg was associated with an HR of 2.10 (95% confidence interval [CI] 1.60–2.76) for paroxysmal/persistent AF and an HR of 1.80 (95% CI 1.33–2.44) for permanent AF. In men, an SBP of 180 mmHg was associated with an HR of 1.90 (95% CI 1.46–2.46) for paroxysmal/persistent AF, while there was no association with the risk of permanent AF. In conclusion, increasing SBP was associated with an increased risk of both paroxysmal/persistent AF and permanent AF in women, but only paroxysmal/persistent AF in men. Our findings highlight the importance of sex-specific risk stratification and optimizing blood pressure management for the prevention of AF subtypes in clinical practice.

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