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Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes
Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes
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Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes

Charles Seife

New York Penguin Books 2007

Localização: IME - Inst. Matemática e Estatística  IMRE SIMON  (CIS Q162 S459d )(Acessar)

2
Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes
Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes
Material Type:
Livro 		Adicionar ao Meu Espaço

Decoding the universe how the new science of information is explaining everything in the cosmos, from our brains to black holes

Charles Seife

New York Viking 2006

Localização: FEA - Fac. Econ. Adm. Contab. e Atuária  ACERVO DELFIM NETTO  (A34.33.10 )(Acessar)

3
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
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Artigo 		Adicionar ao Meu Espaço

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

Pritchard, Benjamin P ; Altarawy, Doaa ; Didier, Brett ; Gibson, Tara D ; Windus, Theresa L

Journal of chemical information and modeling, 2019-11, Vol.59 (11), p.4814-4820 [Periódico revisado por pares]

United States: American Chemical Society

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4
Analyzing Learned Molecular Representations for Property Prediction
Analyzing Learned Molecular Representations for Property Prediction
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Analyzing Learned Molecular Representations for Property Prediction

Yang, Kevin ; Swanson, Kyle ; Jin, Wengong ; Coley, Connor ; Eiden, Philipp ; Gao, Hua ; Guzman-Perez, Angel ; Hopper, Timothy ; Kelley, Brian ; Mathea, Miriam ; Palmer, Andrew ; Settels, Volker ; Jaakkola, Tommi ; Jensen, Klavs ; Barzilay, Regina

Journal of chemical information and modeling, 2019-08, Vol.59 (8), p.3370-3388 [Periódico revisado por pares]

United States: American Chemical Society

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5
ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery
ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery
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ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery

Irwin, John J ; Tang, Khanh G ; Young, Jennifer ; Dandarchuluun, Chinzorig ; Wong, Benjamin R ; Khurelbaatar, Munkhzul ; Moroz, Yurii S ; Mayfield, John ; Sayle, Roger A

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6065-6073 [Periódico revisado por pares]

United States: American Chemical Society

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6
Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance
Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance
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Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance

Chen, Jiahui ; Wang, Rui ; Gilby, Nancy Benovich ; Wei, Guo-Wei

Journal of chemical information and modeling, 2022-01, Vol.62 (2), p.412-422 [Periódico revisado por pares]

United States: American Chemical Society

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7
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

Cheng, Feixiong ; Li, Weihua ; Zhou, Yadi ; Shen, Jie ; Wu, Zengrui ; Liu, Guixia ; Lee, Philip W ; Tang, Yun

Journal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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8
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
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GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

Lee, Tai-Sung ; Cerutti, David S ; Mermelstein, Dan ; Lin, Charles ; LeGrand, Scott ; Giese, Timothy J ; Roitberg, Adrian ; Case, David A ; Walker, Ross C ; York, Darrin M

Journal of chemical information and modeling, 2018-10, Vol.58 (10), p.2043-2050 [Periódico revisado por pares]

United States: American Chemical Society

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9
KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks
KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks
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KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

Jiménez, José ; Škalič, Miha ; Martínez-Rosell, Gerard ; De Fabritiis, Gianni

Journal of chemical information and modeling, 2018-02, Vol.58 (2), p.287-296 [Periódico revisado por pares]

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10
The Synthesizability of Molecules Proposed by Generative Models
The Synthesizability of Molecules Proposed by Generative Models
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The Synthesizability of Molecules Proposed by Generative Models

Gao, Wenhao ; Coley, Connor W

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5714-5723 [Periódico revisado por pares]

United States: American Chemical Society

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Deste Autor:

  1. Seife, C

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