Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches by Faisal Bin Ashraf, Sanjida Akter, Sumona Hoque Mumu, Muhammad Usama Islam, Jasim Uddin

“…SHAP (SHapley Additive exPlanations) on XGB classifier to find important fingerprints from the PaDEL descriptors for this task. The results indicated that the PaDEL descriptors were effective in predicting bioactivity, the proposed neural network design was efficient, and the Explanatory factor through SHAP correctly identified the important fingertips. …”
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Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches. by Faisal Bin Ashraf, Sanjida Akter, Sumona Hoque Mumu, Muhammad Usama Islam, Jasim Uddin

“…SHAP (SHapley Additive exPlanations) on XGB classifier to find important fingerprints from the PaDEL descriptors for this task. The results indicated that the PaDEL descriptors were effective in predicting bioactivity, the proposed neural network design was efficient, and the Explanatory factor through SHAP correctly identified the important fingertips. …”
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Efeito da Kinesio Taping sobre força máxima e resistência de força em padelistas by Marcos Atrib Zanchet, Fabrício Boscolo Del Vecchio

“…CONCLUSÕES: A aplicação da KT reduziu o decréscimo da RF em praticantes de pádel após um set dessa modalidade, mas não exerceu efeito sobre a FM.…”
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Organic farming : an international history / by Lockeretz, William

IN SILICO MODELLING OF CYTOTOXIC BEHAVIOUR OF ANTI-LEUKEMIC COMPOUNDS ON HL-60 CELL LINE by David Ebuka Arthur, Adamu Uzairu, Paul Mamza, Eyije Abechi, Gideon Shallangwa

“…This research employs multiple linear regression technique in the modelling of some potent anti-leukemic compounds using paDEL molecular descriptor software calculator, to identify the best relationship between the chemical structure and toxicities of the anticancer datasets against some leukemic cell lines (HL-60). …”
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Virtual Prototype-based Kinematic Modeling and Simulation of a Multi-mode Amphibious Robot by Mohammed Rafeeq, Siti Fauziah Toha, Salmiah Ahmad, MOHD ASYRAF MOHD RAZIB

“…Seterusnya, kajian ini mengfokuskan simulasi gerakan kinematik dalam mod air beserta padel tayar.  …”
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Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors by Pablo R. Duchowicz

“…The structural descriptors are derived with different freeware, such as PaDEL, Mold2, and QuBiLs-MAS; such descriptor software complements each other and improves the QSAR results. …”
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Photoprotective Properties of Natural Pulvinic Acid Derivatives toward Ultraviolet-Induced Damages by Mehmet Varol

“…Computational chemistry, biology and pharmacology platforms such as Gaussian, GAMESS, PASS, PaDEL-DDPredictor and VEGA QSAR platforms were employed to determine the activities of pulvinic acid derivatives. …”
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Mordred: a molecular descriptor calculator by Hirotomo Moriwaki, Yu-Shi Tian, Norihito Kawashita, Tatsuya Takagi

“…Performance benchmark results show that Mordred is at least twice as fast as the well-known PaDEL-Descriptor and it can calculate descriptors for large molecules, which cannot be accomplished by other software. …”
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Una aproximación a la sintaxis espacial de Suplicantes de Esquilo by María del Pilar Fernández Deagustini

“…Por otro lado, la presencia ininterrumpida del protagonista colectivo en escena y la dinámica de llegadas y regresos de los personajes secundarios nos invitan a analizar la dimensión somática de la “sintaxis espacial”, según los términos de Ruth Padel, reflexionando acerca de los lugares que ocupa cada personaje durante cada coyuntura del drama. …”
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INSILICO MODELLING ON SOME C14-UREA TETRANDRINE COMPOUNDS AS POTENT ANTI-CANCER AGAINST HUMAN ERYTHROLEUKEMIA (HEL) CELL LINE by Mustapha Abdullahi, Gideon A. Shallangwa, Tijjani Ali, Adamu Uzairu

“…Also, molecular descriptors of the inhibitors were calculated with PaDEL calculator, and the results were partitioned into training and test set after data pretreatment. …”
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In silico study on anticonvulsant activity of isoxazole and thiazole derivatives active in subcutaneous pentylenetetrazole animal model by Adedirin Oluwaseye, Adamu Uzairu, Gideon A. Shallangwa, Stephen E. Abechi

“…Physicochemical parameters obtained from PaDEL-Descriptors were utilized in the study. Parametric semi-empirical quantum technique PM3 available in Spartan 14 program was used to optimize the molecular structure of the dataset compounds. …”
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Design and combinatorial library generation of 1H 1,4 benzodiazepine 2,5 diones as photosystem-II inhibitors: A public QSAR approach by Purusottam Banjare, Jagadish Singh, Partha Pratim Roy

“…With this aim in the present study a series of 1H, 1,4 benzodiazepine 2,5-dione analogues as herbicidal (PS-II inhibitors) agents were subjected to QSAR analysis using 2D PaDEL descriptors (open source). Two different splitting techniques namely, kennard stone based and k-means clustering splitting were used to divide the whole data set and GFA based on MAE criteria was used a statistical method to develop a model to investigate the physicochemical and structural requirement of potential PS-II inhibitors. …”
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Arrhythmogenic Left Ventricular Cardiomyopathy: A Successful Case of Extracorporeal Cardiopulmonary Resuscitation by Mafalda Gama, Isabel Cardoso, Mónica Palma Anselmo, Sílvia Aguiar Rosa, Pedro Gaspar da Costa, Philip Fortuna

“… A 24-year-old man suffered a witnessed cardiac arrest after a padel game. Basic life support was immediately provided. …”
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Attentional focus strategies in racket sports: A systematic review. by Marcin Starzak, Tomasz Niźnikowski, Michał Biegajło, Marta Nogal, Weronika Łuba Arnista, Andrzej Mastalerz, Anna Starzak

“…Inclusion criteria were: peer-reviewed journals; healthy and free from injury participants; attentional focus literature specific to the external or internal focus; attentional focus related to motor learning or motor performance; studies included at least one comparator (e.g., different attentional focus group, or control groups with neutral or no specific instruction); publications in which task(s) or skill(s) related to one of the racket sports (tennis, table tennis, badminton, squash, or padel). The initial search yielded 2005 studies. …”
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Prediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure by Piyush Agrawal, Piyush Agrawal, Gajendra P. S. Raghava

“…Secondly, a wide range of features was computed from the structure of these peptides using software PaDEL. Finally, models were developed for predicting the antimicrobial potential of chemically modified peptides using a wide range of structural features of these peptides. …”
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Moderna Grčija in nastanek Néa Ellinikí Koiní by Emanuele Banfi

“…Leto 1453 velja za letnico rojstva moderne grščine; takrat je padel Konstantinopel in začela se je turška nadvlada. …”
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QSAR STUDIES ON DERIVATIVES OF QUINAZOLINE-4(3H)-ONES WITH ANTICONVULSANT ACTIVITIES by Adedirin Oluwaseye, A. UZAIRU, G.A. SHALLANGWA, S.E. ABECHI

“…Molecular descriptors were obtained from the optimized structures using the PaDEL-Descriptor software. Activity values of the compounds and molecular descriptors obtained from the optimized structure made up the database for the study. …”
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Anti-Dengue: A Machine Learning-Assisted Prediction of Small Molecule Antivirals against Dengue Virus and Implications in Drug Repurposing by Sakshi Gautam, Anamika Thakur, Akanksha Rajput, Manoj Kumar

“…Then, molecular descriptors and fingerprints were computed for these molecules using PaDEL software. Further, these molecules were split into training/testing and independent validation datasets. …”
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Antimalarial Drug Predictions Using Molecular Descriptors and Machine Learning against Plasmodium Falciparum by Medard Edmund Mswahili, Gati Lother Martin, Jiyoung Woo, Guang J. Choi, Young-Seob Jeong

“…In this work, we developed five machine learning models to predict antimalarial bioactivities of a drug against plasmodium falciparum from the features (i.e., molecular descriptors values) obtained from PaDEL software from SMILES of compounds and compare the machine learning models by experiments with our collected data of 4794 instances. …”
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