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Virtual screening
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1	Fingerprint Design and Molecular Complexity Effects Chemical Similarity Searching Long history in pharmaceutical research One of the most popular approaches in virtual screening Add to Reading List Source URL: infochim.u-strasbg.fr Language: English - Date: 2013-10-24 10:39:27
2	DUD Subset for Ligand-Based Virtual Screening (DUD LIB VS 1.0) Andreas Jahn1 , Georg Hinselmann1 , Nikolas Fechner1 and Andreas Zell1 Center of Bioinformatics T¨ ubingen (ZBIT), University of T¨ ubingen, Germany Add to Reading List Source URL: dud.docking.org Language: English
3	arXiv:1510.02855v1 [cs.LG] 10 OctAtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Add to Reading List Source URL: arxiv.org Language: English - Date: 2015-10-12 20:36:12 Medical research Bioinformatics Pharmaceutical sciences Chemistry Computational neuroscience Cheminformatics Drug discovery Medicinal chemistry Virtual screening Convolutional neural network Deep learning Artificial neural network
4	Contents Preface Organizing Commitees iii xiii Add to Reading List Source URL: www.icbbb.org Language: English - Date: 2016-08-22 00:41:36 Chemistry Medical research Medicinal chemistry Bioinformatics Drug discovery Cheminformatics Alternatives to animal testing Pharmaceutical sciences In silico Virtual screening Docking Pharmacophore
5	NEWS RELEASE OPEN DAY: THE GRID AND NEGLECTED DISEASES Those working in the field of neglected diseases should not miss the opportunity to meet with like-minded scientists to discuss the next step in grid computing, the Add to Reading List Source URL: grid.ucy.ac.cy Language: English - Date: 2007-03-06 04:27:15 Alternatives to animal testing Bioinformatics Drug discovery Cyberinfrastructure European Grid Infrastructure Grid computing In silico Docking Virtual screening
6	Which is the best fingerprint for medicinal chemistry? Noel O’Boyle and Roger Sayle NextMove Software, Cambridge, UK. 1. Introduction Add to Reading List Source URL: cisrg.shef.ac.uk Language: English - Date: 2016-07-11 09:58:26 Cheminformatics Fingerprinting algorithms Chemistry Drug discovery Biometrics Fingerprint Virtual screening Medicinal chemistry Molecule Public key fingerprint
7	About SGTW \| Subscribe \| Archive \| Contact SGTW April 19, 2006 Calendar/Meetings Add to Reading List Source URL: www.interactions.org Language: English - Date: 2006-04-19 12:14:08 E-Science Cancer screening Cyberinfrastructure Large Hadron Collider Worldwide LHC Computing Grid Ribbon symbolism National Virtual Observatory Grid computing Mammography CERN Breast cancer
8	Including water molecules in Virtual Screening? A case study on the Adenosine A 2A receptor • G-protein coupled receptors • Membrane proteins • 30-40% of the drugs on the market1 Add to Reading List Source URL: www.int-conf-chem-structures.org Language: English - Date: 2014-07-10 16:40:56
9	New guided docking approaches for virtual screening and drug design Add to Reading List Source URL: infochim.u-strasbg.fr Language: English - Date: 2013-10-24 10:39:55
10	Maximum Common Substructure-based based Data Fusion in Similarity Searching and Virtual Screening Edmund Duesbury,, John Holliday and Peter Willett Information School, University of Sheffield, Regent Court, 211 Portobell Add to Reading List Source URL: www.int-conf-chem-structures.org Language: English - Date: 2014-07-07 14:26:48

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