000			02824nam a2200445 i 4500
001			9780841299238
003			DACS
005			20230516163026.0
008			100319s2022 dcua ob 101 0 eng d
020			_a9780841299238 _qelectronic
024	7		_a10.1021/acsinfocus.7e5017 _2doi
035			_a(CaBNVSL)slc00002392
040			_aNjRocCCS _beng _erda _cNjRocCCS
050		4	_aR859.7.A78 _bM446 2022eb
060		4	_aW26.55.A7 _bM446 2022eb
082	0	4	_a615.19 _223
100	1		_aMelo, Marcelo C.R., _eauthor. _uUniversity of Pennsylvania. _967830
245	0	0	_aMachine learning for drug discovery / _cMarcelo C.R. Melo, Jacqueline R. M. A. Maasch & Cesar de la Fuente Nunez.
264		1	_aWashington, DC, USA : _bAmerican Chemical Society, _c2022.
300			_a1 online resource : _billustrations (some color).
336			_atext _2rdacontent
337			_acomputer _2rdamedia
338			_aonline resource _2rdacarrier
490	1		_aACS in focus, _x2691-8307
504			_aIncludes bibliographical references and index.
505	0	0	_tPursuing New Models and Molecules -- _tKey Algorithms for Drug Discovery -- _tData Representation in Computational Chemistry -- _tDrug-likeness Prediction -- _tAntimicrobial Activity Prediction -- _tAntimicrobial Resistance Prediction -- _tGenerative Deep Learning for Drug Discovery -- _tFuture Directions.
520			_a"Machine Learning for Drug Discovery is designed to suit the needs of graduate students, advanced undergraduates, chemists or biologists otherwise new to this research domain with minimal previous exposure to Machine Learning (ML) methods, or computational scientists with minimal exposure to medicinal chemistry. The e-book covers basic algorithmic theory, data representation methods, and generative modeling at a high level. The authors spotlight antibiotic discovery as a case study in ML for drug development and discuss diverse applications in drug-likeness prediction, antimicrobial resistance, and areas for future inquiry. For a more dynamic learning experience, open-source code demonstrations in Python are included."-- _cProvided by publisher.
590			_aAmerican Chemical Society, Machine Learning for Drug Discovery eBooks - 2022 Front Files.
650		0	_aArtificial intelligence _xMedical applications. _94809
650		0	_aDrug development _xData processing. _967574
650		0	_aMachine learning. _91831
650		0	_aMedical informatics. _94729
650	1	2	_aDrug Evaluation _xmethods. _967575
700	1		_aMaasch, Jacqueline R. M. A., _eauthor. _uCornell University. _967831
700	1		_aFuente Nunez, Cesar de la, _eauthor. _uUniversity of Pennsylvania. _967832
710	2		_aAmerican Chemical Society. _967532
830		0	_aACS in focus, _x2691-8307 _967833
856	4		_uhttp://dx.doi.org/10.1021/acsinfocus.7e5017
942			_cEBK
999			_c82146 _d82146