000			02124cam a2200301 i 4500
001			cutn
003			CUTN
005			20230622152716.0
008			200722s2021 gw a b 001 0 eng d
020			_a9783110629392
020			_a3110629399
035			_a(OCoLC)on1149347012
040			_aYDX _beng _cYDX _erda _dOCLCQ _dYDXIT _dOCLCO _dOCLCF _dDLC _dNUSCL
042			_alccopycat
050	0	0	_aQD39.3.E46 _bG74 2021
082			_a542.85 _bGRE
090			_aQD39.3.E46 _bGre 2021
100	1		_aGressling, Thorsten, _eauthor.
245	1	0	_aData science in chemistry : _bartificial intelligence, big data, chemometrics, and quantum computing with Jupyter / _cThorsten Gressling.
300			_axviii, 522 pages : _billustrations ; _c24 cm.
490	1		_aDe Gruyter graduate.
504			_aIncludes bibliographical references and index.
505			_aArtificial Intelligence Chemical and Process Engineering Chemistry Computational Chemistry and Molecular Modeling Computer Sciences Computer Sciences in Natural Sciences Industrial Chemistry Materials Sciences
520			_aAbout this book The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing. A uniquely concise introduction for chemists looking to tap the potential of data science. Contains numerous working examples in Jupyter. Author information Dr. Gressling received his PhD in solid-state and theoretical chemistry from Kiel University in 1996. After three decades of working in software development and the emerging field of data science, he is now employed as Business Leader Artificial Intelligence at the software consultancy ARS.
650		0	_aChemistry _xData processing.
830		0	_aDe Gruyter graduate.
942			_2ddc _cBOOKS
999			_c39076 _d39076