Search Results - "Bento, A."

The ChEMBL database in 2017 by Gaulton, Anna, Hersey, Anne, Nowotka, Michał, Bento, A Patrícia, Chambers, Jon, Mendez, David, Mutowo, Prudence, Atkinson, Francis, Bellis, Louisa J, Cibrián-Uhalte, Elena, Davies, Mark, Dedman, Nathan, Karlsson, Anneli, Magariños, María Paula, Overington, John P, Papadatos, George, Smit, Ines, Leach, Andrew R

“…ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 and 2014 Nucleic Acids Research Database…”
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ChEMBL: towards direct deposition of bioassay data by Mendez, David, Gaulton, Anna, Bento, A Patrícia, Chambers, Jon, De Veij, Marleen, Félix, Eloy, Magariños, María Paula, Mosquera, Juan F, Mutowo, Prudence, Nowotka, Michał, Gordillo-Marañón, María, Hunter, Fiona, Junco, Laura, Mugumbate, Grace, Rodriguez-Lopez, Milagros, Atkinson, Francis, Bosc, Nicolas, Radoux, Chris J, Segura-Cabrera, Aldo, Hersey, Anne, Leach, Andrew R

“…Abstract ChEMBL is a large, open-access bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012, 2014 and 2017 Nucleic Acids…”
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An open source chemical structure curation pipeline using RDKit by Bento, A. Patrícia, Hersey, Anne, Félix, Eloy, Landrum, Greg, Gaulton, Anna, Atkinson, Francis, Bellis, Louisa J., De Veij, Marleen, Leach, Andrew R.

“…Background The ChEMBL database is one of a number of public databases that contain bioactivity data on small molecule compounds curated from diverse sources…”
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The ChEMBL bioactivity database: an update by Bento, A Patrícia, Gaulton, Anna, Hersey, Anne, Bellis, Louisa J, Chambers, Jon, Davies, Mark, Krüger, Felix A, Light, Yvonne, Mak, Lora, McGlinchey, Shaun, Nowotka, Michal, Papadatos, George, Santos, Rita, Overington, John P

“…ChEMBL is an open large-scale bioactivity database (https://www.ebi.ac.uk/chembl), previously described in the 2012 Nucleic Acids Research Database Issue…”
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The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods by Zdrazil, Barbara, Felix, Eloy, Hunter, Fiona, Manners, Emma J, Blackshaw, James, Corbett, Sybilla, de Veij, Marleen, Ioannidis, Harris, Lopez, David Mendez, Mosquera, Juan F, Magarinos, Maria Paula, Bosc, Nicolas, Arcila, Ricardo, Kizilören, Tevfik, Gaulton, Anna, Bento, A Patrícia, Adasme, Melissa F, Monecke, Peter, Landrum, Gregory A, Leach, Andrew R

“…Abstract ChEMBL (https://www.ebi.ac.uk/chembl/) is a manually curated, high-quality, large-scale, open, FAIR and Global Core Biodata Resource of bioactive…”
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ChEMBL: a large-scale bioactivity database for drug discovery by Gaulton, Anna, Bellis, Louisa J., Bento, A. Patricia, Chambers, Jon, Davies, Mark, Hersey, Anne, Light, Yvonne, McGlinchey, Shaun, Michalovich, David, Al-Lazikani, Bissan, Overington, John P.

“…ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are…”
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Wildfires in the wildland-urban interface: Key concepts and evaluation methodologies by Bento-Gonçalves, A., Vieira, A.

“…Over the last decades, the different issues regarding the expansion of the wildland-urban interface (WUI) - particularly those related to fires - have spread…”
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Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs by Hunter, Fiona M.I, Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R

“…The safety of marketed drugs is an ongoing concern, with some of the more frequently prescribed medicines resulting in serious or life-threatening adverse…”
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The Effect of Drought on Vegetation Gross Primary Productivity under Different Vegetation Types across China from 2001 to 2020 by Wu, Xiaoping, Zhang, Rongrong, Bento, Virgílio A., Leng, Song, Qi, Junyu, Zeng, Jingyu, Wang, Qianfeng

“…Climate change has exacerbated the frequency and severity of droughts worldwide. Evaluating the response of gross primary productivity (GPP) to drought is thus…”
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Wave energy assessement for Northern Spain from a 33-year hindcast by Bento, A. Rute, Martinho, Paulo, Guedes Soares, C.

“…The wave energy resource along the Northern Spanish coast is determined, for a period of 33 years (1979–2012) based on hindcast results of WAVEWATCH III for…”
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Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies by Leeson, Paul D, Bento, A. Patricia, Gaulton, Anna, Hersey, Anne, Manners, Emma J, Radoux, Chris J, Leach, Andrew R

“…Physicochemical descriptors commonly used to define “drug-likeness” and ligand efficiency measures are assessed for their ability to differentiate marketed…”
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Drought characteristics and dominant factors across China: Insights from high-resolution daily SPEI dataset between 1979 and 2018 by Wan, Lingling, Bento, Virgílio A., Qu, Yanping, Qiu, Jianxiu, Song, Hongquan, Zhang, RongRong, Wu, Xiaoping, Xu, Feng, Lu, Jinkuo, Wang, Qianfeng

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High resolution local wave energy modelling in the Iberian Peninsula by Silva, Dina, Bento, A. Rute, Martinho, Paulo, Guedes Soares, C.

“…The results of a numerical assessment of the wave energy in the Iberian North and West coast are presented. The implemented system uses the WAVEWATCH III model…”
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The ν-cleus experiment: a gram-scale fiducial-volume cryogenic detector for the first detection of coherent neutrino–nucleus scattering by Strauss, R., Rothe, J., Angloher, G., Bento, A., Gütlein, A., Hauff, D., Kluck, H., Mancuso, M., Oberauer, L., Petricca, F., Pröbst, F., Schieck, J., Schönert, S., Seidel, W., Stodolsky, L.

“…We discuss a small-scale experiment, called ν -cleus, for the first detection of coherent neutrino–nucleus scattering by probing nuclear-recoil energies down…”
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Understanding vegetation phenology responses to easily ignored climate factors in china's mid-high latitudes by Wang, Qianfeng, Chen, Huixia, Xu, Feng, Bento, Virgílio A., Zhang, Rongrong, Wu, Xiaoping, Guo, Pengcheng

“…Previous studies have primarily focused on the influence of temperature and precipitation on phenology. It is unclear if the easily ignored climate factors…”
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A review of conventional and emerging technologies for hydrogels sterilization by S. A. Bento, Cristiana, Gaspar, Marisa C., Coimbra, Patrícia, de Sousa, Hermínio C., E. M. Braga, Mara

“…[Display omitted] Hydrogels are extensively used in the biomedical field, as drug delivery systems, wound dressings, contact lenses or as scaffolds for tissue…”
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Results from 730 kg days of the CRESST-II Dark Matter search by Angloher, G., Bauer, M., Bavykina, I., Bento, A., Bucci, C., Ciemniak, C., Deuter, G., von Feilitzsch, F., Hauff, D., Huff, P., Isaila, C., Jochum, J., Kiefer, M., Kimmerle, M., Lanfranchi, J.-C., Petricca, F., Pfister, S., Potzel, W., Pröbst, F., Reindl, F., Roth, S., Rottler, K., Sailer, C., Schäffner, K., Schmaler, J., Scholl, S., Seidel, W., Sivers, M. v., Stodolsky, L., Strandhagen, C., Strauß, R., Tanzke, A., Usherov, I., Wawoczny, S., Willers, M., Zöller, A.

“…The CRESST-II cryogenic Dark Matter search, aiming at detection of WIMPs via elastic scattering off nuclei in CaWO 4 crystals, completed 730 kg days of data…”
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The impact of climate change in wheat and barley yields in the Iberian Peninsula by Bento, Virgílio A., Ribeiro, Andreia F. S., Russo, Ana, Gouveia, Célia M., Cardoso, Rita M., Soares, Pedro M. M.

“…The impact of climate change on wheat and barley yields in two regions of the Iberian Peninsula is here examined. Regression models are developed by using…”
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Nucleophilicity and leaving-group ability in frontside and backside S(N)2 reactions by Bento, A Patrícia, Bickelhaupt, F Matthias

“…Nucleophilic substitution is ubiquitous in chemistry and well studied. Nucleophilicity and leaving-group ability have been related to various reactant…”
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Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation by Abad-Zapatero, Cele, Perišić, Ognjen, Wass, John, Bento, A. Patrícia, Overington, John, Al-Lazikani, Bissan, Johnson, Michael E.

“…We propose a numerical framework that permits an effective atlas-like representation of chemico-biological space based on a series of Cartesian planes mapping…”
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