Journal articles on the topic 'Chemistry – Computer programs – Evaluation'
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Bablok, W., R. Barembruch, W. Stockmann, et al. "CAEv–A program for computer aided evaluation." Journal of Automatic Chemistry 13, no. 5 (1991): 167–79. http://dx.doi.org/10.1155/s1463924691000317.
Full textHeydorn, K., and L. H. Christensen. "Verification testing of commercially available computer programs for photopeak area evaluation." Journal of Radioanalytical and Nuclear Chemistry Articles 124, no. 2 (1988): 467–80. http://dx.doi.org/10.1007/bf02041337.
Full textWeng, Gaoqi, Junbo Gao, Zhe Wang, et al. "Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes." Journal of Chemical Theory and Computation 16, no. 6 (2020): 3959–69. http://dx.doi.org/10.1021/acs.jctc.9b01208.
Full textKlopman, Gilles. "MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program." Quantitative Structure-Activity Relationships 11, no. 2 (1992): 176–84. http://dx.doi.org/10.1002/qsar.19920110208.
Full textEhrmeyer, S. S., and R. H. Laessig. "Ability of the 1(2)s rule to detect substandard performance in interlaboratory proficiency testing." Clinical Chemistry 33, no. 6 (1987): 788–91. http://dx.doi.org/10.1093/clinchem/33.6.788.
Full textJanardhanam, K., and S. V. J. Lakshman. "BASIC programs for the evaluation of wavenumbers and for solving polynomials." Journal of Chemical Information and Modeling 32, no. 4 (1992): 369–72. http://dx.doi.org/10.1021/ci00008a017.
Full textLaessig, R. H., and S. S. Ehrmeyer. "Use of computer modeling to predict the magnitude of intralaboratory error tolerated by proposed CDC interlaboratory proficiency testing performance criteria." Clinical Chemistry 34, no. 9 (1988): 1849–53. http://dx.doi.org/10.1093/clinchem/34.9.1847.
Full textYu, Pei, Shufeng Zhang, Xuelei Feng, Ziyun Liu, and Yong Shen. "Selecting Program Material by Audio Features for Low-Frequency Perceptual Evaluation of Loudspeakers." Applied Sciences 11, no. 5 (2021): 2302. http://dx.doi.org/10.3390/app11052302.
Full textKlopman, Gilles, Roustem Saiakhov, Herbert S. Rosenkranz, and Joop L. M. Hermens. "Multiple Computer-Automated structure evaluation program study of aquatic toxicity 1: Guppy." Environmental Toxicology and Chemistry 18, no. 11 (1999): 2497–505. http://dx.doi.org/10.1002/etc.5620181116.
Full textLamanauskas, Vincentas, Violeta Šlekienė, and Loreta Ragulienė. "COMPUTER-BASED TECHNOLOGIES IN THE PROCESS OF NATURAL SCIENCE EDUCATION: SOCIO-EDUCATIONAL ASPECTS." GAMTAMOKSLINIS UGDYMAS / NATURAL SCIENCE EDUCATION 6, no. 3 (2009): 8–23. http://dx.doi.org/10.48127/gu-nse/09.6.08b.
Full textAroyo, Mois, Emre Tasci, J. Manuel Perez-Mato, Gemma de la Flor, Samuel Gallego, and Luis Elcoro. "Phase-transition studies at the Bilbao Crystallographic Server." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C45. http://dx.doi.org/10.1107/s2053273314099549.
Full textDeng, Wei, and Christophe L. M. J. Verlinde. "Evaluation of Different Virtual Screening Programs for Docking in a Charged Binding Pocket." Journal of Chemical Information and Modeling 48, no. 10 (2008): 2010–20. http://dx.doi.org/10.1021/ci800154w.
Full textLepek, Alex. "A computer program for a general case evaluation of the expanded uncertainty." Accreditation and Quality Assurance 8, no. 6 (2003): 296–99. http://dx.doi.org/10.1007/s00769-003-0649-1.
Full textAl-Jayyousi, Odeh, and Rustom Mamlook. "Expert computer knowledge-based methodology using fuzzy sets for evaluating water conservation programs in Jordan." Clean Technologies and Environmental Policy 4, no. 4 (2002): 257–63. http://dx.doi.org/10.1007/s10098-002-0169-4.
Full textDąbrowski, Łukasz. "Evaluation of a Simplified Method for GC/MS Qualitative Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, and Organic Pesticides Using PARADISe Computer Program." Molecules 25, no. 16 (2020): 3727. http://dx.doi.org/10.3390/molecules25163727.
Full textHewetson, David W., and Chester J. Mirocha. "Development of Mass Spectral Library of Trichothecenes Based on Positive Chemical Ionization Mass Spectra." Journal of AOAC INTERNATIONAL 70, no. 4 (1987): 647–53. http://dx.doi.org/10.1093/jaoac/70.4.647.
Full textLiebeschuetz, John W. "Evaluating docking programs: keeping the playing field level." Journal of Computer-Aided Molecular Design 22, no. 3-4 (2008): 229–38. http://dx.doi.org/10.1007/s10822-008-9169-8.
Full textChristensen, S�ren Lykke, Johan Thomas Bonnevie Anglov, Jytte Molin Christensen, Erik Olsen, and Otto Melchior Poulsen. "Application of a new AMIQAS computer program for integrated quality control, method evaluation and proficiency testing." Fresenius' Journal of Analytical Chemistry 345, no. 2-4 (1993): 343–50. http://dx.doi.org/10.1007/bf00322627.
Full textKwon, Ji-Su, Jae-Young Nam, Seon-In Yeom, and Won-Hee Kang. "Leaf-to-Whole Plant Spread Bioassay for Pepper and Ralstonia solanacearum Interaction Determines Inheritance of Resistance to Bacterial Wilt for Further Breeding." International Journal of Molecular Sciences 22, no. 5 (2021): 2279. http://dx.doi.org/10.3390/ijms22052279.
Full textSayyed, Mohammed I., Ferdi Akman, Veysel Turan, and Aslı Araz. "Evaluation of radiation absorption capacity of some soil samples." Radiochimica Acta 107, no. 1 (2018): 83–93. http://dx.doi.org/10.1515/ract-2018-2996.
Full textFung, Eliza N., Inhou Chu, and Amin A. Nomeir. "A computer program for automated data evaluation to supportin vitro higher-throughput screening for drug metabolism and pharmacokinetics attributes." Rapid Communications in Mass Spectrometry 18, no. 18 (2004): 2046–52. http://dx.doi.org/10.1002/rcm.1581.
Full textSADEGHI, F., M. H. HAMID-SAMIMI, and K. R. SWARTZEL. "COMPUTER CODES AND THEIR APPLICATION MICRO-COMPUTER PROGRAM FOR DETERMINING THE UNIQUE TIME-TEMPERATURE ASSOCIATED WITH THE EQUIVALENT POINT METHOD OF THERMAL EVALUATION." Journal of Food Processing and Preservation 10, no. 4 (1986): 331–35. http://dx.doi.org/10.1111/j.1745-4549.1986.tb00029.x.
Full textVogel, Simon M., Matthias R. Bauer, and Frank M. Boeckler. "DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening — A Versatile Tool for Benchmarking Docking Programs and Scoring Functions." Journal of Chemical Information and Modeling 51, no. 10 (2011): 2650–65. http://dx.doi.org/10.1021/ci2001549.
Full textNycz–Empel, Anna, Katarzyna Bober, Mirosław Wyszomirski, Ewa Kisiel, and Andrzej Zięba. "The Application of CA and PCA to the Evaluation of Lipophilicity and Physicochemical Properties of Tetracyclic Diazaphenothiazine Derivatives." Journal of Analytical Methods in Chemistry 2019 (October 20, 2019): 1–10. http://dx.doi.org/10.1155/2019/8131235.
Full textVaiana, Nicoló, Raffaele Capuano, Salvatore Sessa, Francesco Marmo, and Luciano Rosati. "Nonlinear Dynamic Analysis of Seismically Base-Isolated Structures by a Novel OpenSees Hysteretic Material Model." Applied Sciences 11, no. 3 (2021): 900. http://dx.doi.org/10.3390/app11030900.
Full textKlopman, Gilles, D. M. Balthasar, and H. S. Rosenkranz. "Application of the computer-automated structure evaluation (CASE) program to the study of structure-biodegradation relationships of miscellaneous chemicals." Environmental Toxicology and Chemistry 12, no. 2 (1993): 231–40. http://dx.doi.org/10.1002/etc.5620120206.
Full textTejedor, Javier, Doroteo T. Toledano, Jose M. Ramirez, Ana R. Montalvo, and Juan Ignacio Alvarez-Trejos. "The Multi-Domain International Search on Speech 2020 ALBAYZIN Evaluation: Overview, Systems, Results, Discussion and Post-Evaluation Analyses." Applied Sciences 11, no. 18 (2021): 8519. http://dx.doi.org/10.3390/app11188519.
Full textSkehan, Philip. "Dealing with the data deluge in high throughput screening." Journal of Automated Methods and Management in Chemistry 22, no. 5 (2000): 145–48. http://dx.doi.org/10.1155/s1463924600000237.
Full textLiu, Lili, Hua Zhu, Yanchun Yan, Peng Lv, and Wei Wu. "Toxicity Evaluation and Biomarker Selection with Validated Reference Gene in Embryonic Zebrafish Exposed to Mitoxantrone." International Journal of Molecular Sciences 19, no. 11 (2018): 3516. http://dx.doi.org/10.3390/ijms19113516.
Full textDong, Yukun, Meng Wu, Li Zhang, Wenjing Yin, Mengying Wu, and Haojie Li. "Priority Measurement of Patches for Program Repair Based on Semantic Distance." Symmetry 12, no. 12 (2020): 2102. http://dx.doi.org/10.3390/sym12122102.
Full textSato, Hideyuki, Lisa M. Shewchuk, and Jun Tang. "Prediction of Multiple Binding Modes of the CDK2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs GOLD, FlexX, and LigandFit: An Evaluation of Performance." Journal of Chemical Information and Modeling 46, no. 6 (2006): 2552–62. http://dx.doi.org/10.1021/ci600186b.
Full textPires, Vanessa Leal, Sara C. Novais, Marco F. L. Lemos, Vanessa F. Fonseca, and Bernardo Duarte. "Evaluation of Multivariate Biomarker Indexes Application in Ecotoxicity Tests with Marine Diatoms Exposed to Emerging Contaminants." Applied Sciences 11, no. 9 (2021): 3878. http://dx.doi.org/10.3390/app11093878.
Full textAbincha, Wilfred, Ugochukwu N. Ikeogu, Robert Kawuki, et al. "Portable Spectroscopy Calibration with Inexpensive and Simple Sampling Reference Alternatives for Dry Matter and Total Carotenoid Contents in Cassava Roots." Applied Sciences 11, no. 4 (2021): 1714. http://dx.doi.org/10.3390/app11041714.
Full textBocheva, Georgeta, Radomir M. Slominski, and Andrzej T. Slominski. "The Impact of Vitamin D on Skin Aging." International Journal of Molecular Sciences 22, no. 16 (2021): 9097. http://dx.doi.org/10.3390/ijms22169097.
Full textKlopman, Gilles, Mario Dimayuga, and Joseph Talafous. "META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals." Journal of Chemical Information and Modeling 34, no. 6 (1994): 1320–25. http://dx.doi.org/10.1021/ci00022a014.
Full textWen, Shiyi, Yuling Liu, Huixin Liu, et al. "The interdiffusivity matrices in fcc_A1 Ni–Cr–V alloys: A high-throughput evaluation by CALTPP program." Calphad 72 (March 2021): 102229. http://dx.doi.org/10.1016/j.calphad.2020.102229.
Full textBrumann, Christopher, Markus Kukuk, and Claus Reinsberger. "Evaluation of Open-Source and Pre-Trained Deep Convolutional Neural Networks Suitable for Player Detection and Motion Analysis in Squash." Sensors 21, no. 13 (2021): 4550. http://dx.doi.org/10.3390/s21134550.
Full textHOGGAN, P. E. "NOTE ON HYDROGENIC ATOMIC ORBITALS TO EVALUATE SENSITIVE PROPERTIES OF MOLECULES: AN EXAMPLE OF NMR CHEMICAL SHIFTS." Journal of Theoretical and Computational Chemistry 03, no. 02 (2004): 163–68. http://dx.doi.org/10.1142/s0219633604000945.
Full textvan de Merbel, Arjanneke F., Onno van Hooij, Geertje van der Horst, et al. "The Identification of Small Molecule Inhibitors That Reduce Invasion and Metastasis of Aggressive Cancers." International Journal of Molecular Sciences 22, no. 4 (2021): 1688. http://dx.doi.org/10.3390/ijms22041688.
Full textKhatri, Kamal N. "Vibrations of Arbitrarily Laminated Fiber Reinforced Composite Material Truncated Conical Shell." Journal of Reinforced Plastics and Composites 14, no. 9 (1995): 923–48. http://dx.doi.org/10.1177/073168449501400902.
Full textConvard, Thierry, Jean-Pierre Dubost, H. Le Solleu, and E. Kummer. "SmilogP: A Program for a Fast Evaluation of Theoretical Log P from the Smiles Code of a Molecule." QSAR & Combinatorial Science 13, no. 1 (1994): 34–37. http://dx.doi.org/10.1002/qsar.19940130107.
Full textWon, Sae-Young, Yong-Chan Kim, and Byung-Hoon Jeong. "First Report of the Potential Bovine Spongiform Encephalopathy (BSE)-Related Somatic Mutation E211K of the Prion Protein Gene (PRNP) in Cattle." International Journal of Molecular Sciences 21, no. 12 (2020): 4246. http://dx.doi.org/10.3390/ijms21124246.
Full textFarzaneh, Hooman, Ladan Malehmirchegini, Adrian Bejan, Taofeek Afolabi, Alphonce Mulumba, and Precious P. Daka. "Artificial Intelligence Evolution in Smart Buildings for Energy Efficiency." Applied Sciences 11, no. 2 (2021): 763. http://dx.doi.org/10.3390/app11020763.
Full textLi, Dong, Ma, et al. "Physical Mapping of Stem Rust Resistance Gene Sr52 from Dasypyrum villosum Based on ph1b-Induced Homoeologous Recombination." International Journal of Molecular Sciences 20, no. 19 (2019): 4887. http://dx.doi.org/10.3390/ijms20194887.
Full textMayer, Naomi, Sigal Portnoy, Ram Palti, and Yafa Levanon. "The Efficacy of Tele-Rehabilitation Program for Improving Upper Limb Function among Adults Following Elbow Fractures: A Pilot Study." Applied Sciences 11, no. 4 (2021): 1708. http://dx.doi.org/10.3390/app11041708.
Full textde Sire, Alessandro, Andrea Demeco, Nicola Marotta, et al. "Anterior Cruciate Ligament Injury Prevention Exercises: Could a Neuromuscular Warm-Up Improve Muscle Pre-Activation before a Soccer Game? A Proof-of-Principle Study on Professional Football Players." Applied Sciences 11, no. 11 (2021): 4958. http://dx.doi.org/10.3390/app11114958.
Full textSeufert, Philipp, Jan Schwientek, and Michael Bortz. "Model-Based Design of Experiments for High-Dimensional Inputs Supported by Machine-Learning Methods." Processes 9, no. 3 (2021): 508. http://dx.doi.org/10.3390/pr9030508.
Full textKaduševičius, Edmundas. "Novel Applications of NSAIDs: Insight and Future Perspectives in Cardiovascular, Neurodegenerative, Diabetes and Cancer Disease Therapy." International Journal of Molecular Sciences 22, no. 12 (2021): 6637. http://dx.doi.org/10.3390/ijms22126637.
Full textKremer, Wieke, Marjolein van Zummeren, Daniëlle Heideman, et al. "HPV16-Related Cervical Cancers and Precancers Have Increased Levels of Host Cell DNA Methylation in Women Living with HIV." International Journal of Molecular Sciences 19, no. 11 (2018): 3297. http://dx.doi.org/10.3390/ijms19113297.
Full textLindstrom, Gary. "Static evaluation of functional programs." ACM SIGPLAN Notices 21, no. 7 (1986): 196–206. http://dx.doi.org/10.1145/13310.13331.
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