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2012, Introduction to Cheminformatics : data management, manipulation and properties
Web Resource
Nature Reviews Drug Discovery, ISSN 1474-1776, 12/2006, Volume 5, Issue 12, pp. 993 - 996
For the past decade, the number of molecular targets for approved drugs has been debated. Here, we reconcile apparently contradictory previous reports into a... 
Technology, Pharmaceutical | Humans | Drug Design | Drugs, Investigational - therapeutic use | Drug Approval | Drug Delivery Systems - trends | Genome, Human | Pharmaceutical industry
Journal Article
Nature Genetics, ISSN 1061-4036, 2014, Volume 46, Issue 6, pp. 543 - 550
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 1/2012, Volume 40, Issue D1, pp. D1100 - D1107
ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are... 
ACCESSIBLE DATABASE | RECEPTORS | INFORMATION | BIOCHEMISTRY & MOLECULAR BIOLOGY | PREDICTION | User-Computer Interface | Proteins - metabolism | Databases, Protein | Humans | Pharmaceutical Preparations - chemistry | Proteins - chemistry | Drug Discovery | Databases, Factual
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 04/2014, Volume 10, Issue 4
  Allosteric modulators are ligands for proteins that exert their effects via a different binding site than the natural (orthosteric) ligand site and hence... 
Proteins | Competition | Ligands | Kinases | Drug dosages | Binding sites | Pharmaceutical sciences | Molecular weight
Journal Article
by Costello, James C and Heiser, Laura M and Georgii, Elisabeth and Gönen, Mehmet and Menden, Michael P and Wang, Nicholas J and Bansal, Mukesh and Ammad-Ud-Din, Muhammad and Hintsanen, Petteri and Khan, Suleiman A and Mpindi, John-Patrick and Kallioniemi, Olli and Honkela, Antti and Aittokallio, Tero and Wennerberg, Krister and Collins, James J and Gallahan, Dan and Singer, Dinah and Saez-Rodriguez, Julio and Kaski, Samuel and Gray, Joe W and Stolovitzky, Gustavo and Abbuehl, Jean-Paul and Allen, Jeffrey and Altman, Russ B and Balcome, Shawn and Battle, Alexis and Bender, Andreas and Berger, Bonnie and Bernard, Jonathan and Bhattacharjee, Madhuchhanda and Bhuvaneshwar, Krithika and Bieberich, Andrew A and Boehm, Fred and Califano, Andrea and Chan, Christina and Chen, Beibei and Chen, Ting-Huei and Choi, Jaejoon and Coelho, Luis Pedro and Cokelaer, Thomas and Collins, James C and Creighton, Chad J and Cui, Jike and Dampier, Will and Davisson, V. Jo and De Baets, Bernard and Deshpande, Raamesh and DiCamillo, Barbara and Dundar, Murat and Duren, Zhana and Ertel, Adam and Fan, Haoyang and Fang, Hongbin and Gauba, Robinder and Gottlieb, Assaf and Grau, Michael and Gusev, Yuriy and Ha, Min Jin and Han, Leng and Harris, Michael and Henderson, Nicholas and Hejase, Hussein A and Homicsko, Krisztian and Hou, Jack P and Hwang, Woochang and IJzerman, Adriaan P and Karacali, Bilge and Keles, Sunduz and Kendziorski, Christina and Kim, Junho and Kim, Min and Kim, Youngchul and Knowles, David A and Koller, Daphne and Lee, Junehawk and Lee, Jae K and Lenselink, Eelke B and Li, Biao and Li, Bin and Li, Jun and Liang, Han and Ma, Jian and Madhavan, Subha and Mooney, Sean and Myers, Chad L and Newton, Michael A and Overington, John P and Pal, Ranadip and Peng, Jian and Pestell, Richard and Prill, Robert J and Qiu, Peng and Rajwa, Bartek and Sadanandam, Anguraj and Sambo, Francesco and Shin, Hyunjin and Song, Jiuzhou and Song, Lei and Sridhar, Arvind and ... and NCI DREAM Community
Nature Biotechnology, ISSN 1087-0156, 12/2014, Volume 32, Issue 12, pp. 1202 - 1212
Journal Article
by Bansal, Mukesh and Yang, Jichen and Karan, Charles and Menden, Michael P and Costello, James C and Tang, Hao and Xiao, Guanghua and Li, Yajuan and Allen, Jeffrey and Zhong, Rui and Chen, Beibei and Kim, Minsoo and Wang, Tao and Heiser, Laura M and Realubit, Ronald and Mattioli, Michela and Alvarez, Mariano J and Shen, Yao and Gallahan, Daniel and Singer, Dinah and Saez-Rodriguez, Julio and Xie, Yang and Stolovitzky, Gustavo and Califano, Andrea and Abbuehl, Jean-Paul and Altman, Russ B and Balcome, Shawn and Bell, Ana and Bender, Andreas and Berger, Bonnie and Bernard, Jonathan and Bieberich, Andrew A and Borboudakis, Giorgos and Chan, Christina and Chen, Ting-Huei and Choi, Jaejoon and Coelho, Luis Pedro and Creighton, Chad J and Dampier, Will and Davisson, V. Jo and Deshpande, Raamesh and Diao, Lixia and Di Camillo, Barbara and Dundar, Murat and Ertel, Adam and Goswami, Chirayu P and Gottlieb, Assaf and Gould, Michael N and Goya, Jonathan and Grau, Michael and Gray, Joe W and Hejase, Hussein A and Hoffmann, Michael F and Homicsko, Krisztian and Homilius, Max and Hwang, Woochang and Ijzerman, Adriaan P and Kallioniemi, Olli and Karacali, Bilge and Kaski, Samuel and Kim, Junho and Krishnan, Arjun and Lee, Junehawk and Lee, Young-Suk and Lenselink, Eelke B and Lenz, Peter and Li, Lang and Li, Jun and Liang, Han and Mpindi, John-Patrick and Myers, Chad L and Newton, Michael A and Overington, John P and Parkkinen, Juuso and Prill, Robert J and Peng, Jian and Pestell, Richard and Qiu, Peng and Rajwa, Bartek and Sadanandam, Anguraj and Sambo, Francesco and Sridhar, Arvind and Sun, Wei and Toffolo, Gianna M and Tozeren, Aydin and Troyanskaya, Olga G and Tsamardinos, Ioannis and Van Vlijmen, Herman W. T and Wang, Wen and Wegner, Joerg K and Wennerberg, Krister and Van Westen, Gerard J. P and Xia, Tian and Yang, Yang and Yao, Victoria and Yuan, Yuan and Zeng, Haoyang and Zhang, Shihua and Zhao, Junfei and Zhou, Jian and NCI-DREAM Community and Cellworks Group
Nature Biotechnology, ISSN 1087-0156, 12/2014, Volume 32, Issue 12, pp. 1213 - 1222
Recent therapeutic successes have renewed interest in drug combinations, but experimental screening approaches are costly and often identify only small numbers... 
DRUG-COMBINATIONS | NETWORK | THERAPY | INHIBITION | MODELS | BIOTECHNOLOGY & APPLIED MICROBIOLOGY | RESISTANCE | CANCER | EXPRESSION | CHEMOTHERAPY | SYSTEMS BIOLOGY | Drug Synergism | B-Lymphocytes - drug effects | Algorithms | Computer Simulation | Humans | Drug Combinations | Pharmaceutical research | Drug therapy, Combination | Research | Computers | Drug therapy | Predictions
Journal Article
NATURE, ISSN 0028-0836, 07/2009, Volume 460, Issue 7253, pp. 352 - U65
Journal Article