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Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.
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. One popular approach is using reinforcement...
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.
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. One popular approach is using reinforcement...
Comparison of structure- and ligand-based scoring functions for deep generative models
Abstract: Deep generative models have shown the ability to devise both valid and novel chemistry, which could significantly accelerate the identification of bioactive compounds. Many current models, however, use molecular...
RESEARCH ARTICLE In Silico Structure Generation: Recent Developments Applications and Challenges Artificial Intelligence AI Structure-based drug design SBDD ligand-based drug design LBDD Deep learning Generative models recurrent neural network Molecular docking reinforcement learning De novo design Quantitative structure–activity relationship QSAR
Comparison of structure- and ligand-based scoring functions for deep generative models
Deep generative models have shown the ability to devise both valid and novel chemistry, which could significantly accelerate the identification of bioactive compounds. Many current models, however, use molecular descriptors or...
Artificial Intelligence De novo design Structure-based drug design Molecular docking QSAR AI reinforcement learning Generative models recurrent neural network SBDD Quantitative structure–activity relationship Deep learning ligand-based drug design LBDD
Published by: Journal of cheminformatics
Comparison of structure- and ligand-based scoring functions for deep generative models
Deep generative models have shown the ability to devise both valid and novel chemistry, which could significantly accelerate the identification of bioactive compounds. Many current models, however, use molecular descriptors or...
Desgarraduras del cuerpo y degolladuras de la voz
B Epps
Aug 24, 2017
El mismo mar de todos los veranos de Esther Tusquets narra la tormentosa relación erótica y emocional de una mujer de la alta burguesía catalana, casada y desencantada, que ejerce de profesora de literatura, con una joven...
TransRate
TransRate is a tool for reference-free quality assessment of de novo transcriptome assemblies. Using only the sequenced reads and the assembly as input, we show that multiple common artifacts of de novo transcriptome assembly...
De la philosophie de la religion dans l’oeuvre de Landgrebe
Sylvain Camilleri
Apr 22, 2021
Nombreux sont les premiers disciples de Husserl à s’être intéressés de prèsà la religion. Landgrebe ne fait pas exception à la règle, même si j’entendsmontrer qu’il constitue plutôt un cas à part. Pourquoi donc ? Parce que...
Published by: Memorial University of Newfoundland
De la philosophie de la religion dans l’oeuvre de Landgrebe
Sylvain Camilleri
Apr 22, 2021
Nombreux sont les premiers disciples de Husserl à s’être intéressés de prèsà la religion. Landgrebe ne fait pas exception à la règle, même si j’entendsmontrer qu’il constitue plutôt un cas à part. Pourquoi donc ? Parce que...
Published by: Memorial University of Newfoundland
Intolerancia en Tiempos de Crisis: Hacia una Literatura Transgresora en El sitio de los sitios de Juan Goytisolo
Oscar Ivan Useche
Jan 01, 0001
Este artículo propone entender la novela de Goytisolo como una respuesta cultural a la crisis de los modelos de racionalidad occidental. Se estudian las dinámicas de descomposición social de la globalización y la aparición...
Juan Goytisolo globalization Sarajevo historical memory memoria historica globalizacion State of Siege fiction Modern Literature Spanish and Portuguese Language and Literature
Published by: Ursinus College
Le Diable dans la bibliothèque
Dans Thinking with Demons (1997), Stuart Clark a montré que la démonologie, cette composante essentielle de la pensée de la première modernité, n’était pas une affaire de spécialistes: ‘penser avec le diable’ était une activité...
Determinantes de la movilidad ocupacional segmentada de los inmigrantes no comunitarios en España
La literatura sobre la integración económica de los inmigrantes ha destacado la existencia de un patrón de movilidad en forma de «U». En este artículo discutimos esta argumentación partiendo de las teorías de la segmentación del...
Economic Integration of Immigrants International Migration Labor Market Segmentation Segmented Occupational Mobility Spain Anthropology Social and Cultural Anthropology Sociology
Published by: Winthrop University
Christian de Duve, 1963
The Rockefeller University
Jan 01, 0001
Christian de Duve. The separation and characterization of subcellular particles.
Lecture delivered November 21, 1963
Posted with permission
Published by: Academic Press
Fostering a personal-is-political ethics
This article suggests that interviews about past ethical dilemmas or transgressions can foster ethical skills for navigating interlocking power relations. It shows how narratives claiming relative innocence are widespread and...
Foucauldian ethics claims of relative innocence interlocking oppression moral economy Invitational and Narrative Practice
Published by: Memorial University of Newfoundland
Geographies of conservation I
WM ADAMS
Apr 22, 2016
© The Author(s) 2016. Extinction has long been a central concern in biodiversity conservation. Today, de-extinction offers interesting possibilities of restoring charismatic species and ecosystem function, but also risks and...
The Grizzly, November 8, 2012
Jessica Orbon, Sara Sherr, Dave Muoio, Keith Miles, Alexa LaMontagne, Michael D'Amico, Christine Dobisch, Austin Fox, Amanda Frekot, Courtney Scott, Larissa Coyne, Michael Klazas, Chris Rountree, Marcus Foster
Jan 01, 0001
Hurricane Hits UC, Campus Evacuated Sandy: Climate Change? Alumni Give Back to Ursinus Hillel Fosters an Open Community Christmas Mall New Faculty Members in Residence 2012 Photography Club Returns to Campus Henna Event...
Ursinus College Collegeville Pennsylvania newspaper Hurricane Sandy fund raising Hillel Trinity United Church of Christ Jennifer Stevenson Garrett Hope Photography Club To Write Love on Her Arms Football Swimming Chris Rountree cultural history Higher Education Liberal Studies Social History United States History
Published by: Ursinus College
De-globalisation and decoupling
P Williamson
Feb 19, 2021
It has become fashionable to argue that the post-coronavirus world will see an acceleration in de-globalisation and decoupling and that companies will substantively re-localise their supply chains (Javorcik, 2020; McKinsey...
Near critical, self-similar, blow-up solutions of the generalised Korteweg–de Vries equation
Pierluigi Amodio, Chris J. Budd, Othmar Koch, Vivi Rottschäfer, Giuseppina Settanni, Ewa Weinmüller
Jan 01, 2020
In this article we give a detailed asymptotic analysis of the near critical self-similar blowup solutions to the Generalised Korteweg–de Vries equation (GKdV). We compare this analysis to some careful numerical calculations....
The tour de France
From its initial inception in 1903 as a race premised on a publicity stunt to sell newspapers, the Tour de France had grown and evolved over time to become one of the most difficult and heralded sporting events in the world....
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