AI is a viable alternative to high throughput screening: a 318-target study Article

Wallach, Izhar, Bernard, Denzil, Nguyen, Kong et al. (2024). AI is a viable alternative to high throughput screening: a 318-target study . SCIENTIFIC REPORTS, 14(1), 10.1038/s41598-024-54655-z

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cited authors

  • Wallach, Izhar; Bernard, Denzil; Nguyen, Kong; Ho, Gregory; Morrison, Adrian; Stecula, Adrian; Rosnik, Andreana; O'Sullivan, Ann Marie; Davtyan, Aram; Samudio, Ben; Thomas, Bill; Worley, Brad; Butler, Brittany; Laggner, Christian; Thayer, Desiree; Moharreri, Ehsan; Friedland, Greg; Truong, Ha; van den Bedem, Henry; Ng, Ho Leung; Stafford, Kate; Sarangapani, Krishna; Giesler, Kyle; Ngo, Lien; Mysinger, Michael; Ahmed, Mostafa; Anthis, Nicholas J; Henriksen, Niel; Gniewek, Pawel; Eckert, Sam; de Oliveira, Saulo; Suterwala, Shabbir; PrasadPrasad, Srimukh Veccham Krishna; Shek, Stefani; Contreras, Stephanie; Hare, Stephanie; Palazzo, Teresa; O'Brien, Terrence E; Van Grack, Tessa; Williams, Tiffany; Chern, Ting-Rong; Kenyon, Victor; Lee, Andreia H; Cann, Andrew B; Bergman, Bastiaan; Anderson, Brandon M; Cox, Bryan D; Warrington, Jeffrey M; Sorenson, Jon M; Goldenberg, Joshua M; Young, Matthew A; DeHaan, Nicholas; Pemberton, Ryan P; Schroedl, Stefan; Abramyan, Tigran M; Gupta, Tushita; Mysore, Venkatesh; Presser, Adam G; Ferrando, Adolfo A; Andricopulo, Adriano D; Ghosh, Agnidipta; Ayachi, Aicha Gharbi; Mushtaq, Aisha; Shaqra, Ala M; Toh, Alan Kie Leong; Smrcka, Alan V; Ciccia, Alberto; de Oliveira, Aldo Sena; Sverzhinsky, Aleksandr; de Sousa, Alessandra Mara; Agoulnik, Alexander I; Kushnir, Alexander; Freiberg, Alexander N; Statsyuk, Alexander V; Gingras, Alexandre R; Degterev, Alexei; Tomilov, Alexey; Vrielink, Alice; Garaeva, Alisa A; Bryant-Friedrich, Amanda; Caflisch, Amedeo; Patel, Amit K; Rangarajan, Amith Vikram; Matheeussen, An; Battistoni, Andrea; Caporali, Andrea; Chini, Andrea; Ilari, Andrea; Mattevi, Andrea; Foote, Andrea Talbot; Trabocchi, Andrea; Stahl, Andreas; Herr, Andrew B; Berti, Andrew; Freywald, Andrew; Reidenbach, Andrew G; Lam, Andrew; Cuddihy, Andrew R; White, Andrew; Taglialatela, Angelo; Ojha, Anil K; Cathcart, Ann M; Motyl, Anna AL; Borowska, Anna; D'Antuono, Anna; Hirsch, Anna KH; Porcelli, Anna Maria; Minakova, Anna; Montanaro, Anna; Mueller, Anna; Fiorillo, Annarita; Virtanen, Anniina; O'Donoghue, Anthony J; Flores, Antonio Del Rio; Garmendia, Antonio E; Pineda-Lucena, Antonio; Panganiban, Antonito T; Samantha, Ariela; Chatterjee, Arnab K; Haas, Arthur L; Paparella, Ashleigh S; John, Ashley L St; Prince, Ashutosh; ElSheikh, Assmaa; Apfel, Athena Marie; Colomba, Audrey; O'Dea, Austin; Diallo, Bakary N'tji; Ribeiro, Beatriz Murta Rezende Moraes; Bailey-Elkin, Ben A; Edelman, Benjamin L; Liou, Benjamin; Perry, Benjamin; Chua, Benjamin Soon Kai; Kovats, Benjamin; Englinger, Bernhard; Balakrishnan, Bijina; Gong, Bin; Agianian, Bogos; Pressly, Brandon; Salas, Brenda P Medellin; Duggan, Brendan M; Geisbrecht, Brian V; Dymock, Brian W; Morten, Brianna C; Hammock, Bruce D; Mota, Bruno Eduardo Fernandes; Dickinson, Bryan C; Fraser, Cameron; Lempicki, Camille; Novina, Carl D; Torner, Carles; Ballatore, Carlo; Bon, Carlotta; Chapman, Carly J; Partch, Carrie L; Chaton, Catherine T; Huang, Chang; Yang, Chao-Yie; Kahler, Charlene M; Karan, Charles; Keller, Charles; Dieck, Chelsea L; Chen, Huimei; Liu, Chen; Peltier, Cheryl; Mantri, Chinmay Kumar; Kemet, Chinyere Maat; Mueller, Christa E; Weber, Christian; Zeina, Christina M; Muli, Christine S; Morisseau, Christophe; Alkan, Cigdem; Reglero, Clara; Loy, Cody A; Wilson, Cornelia M; Myhr, Courtney; Arrigoni, Cristina; Paulino, Cristina; Santiago, Cesar; Luo, Dahai; Tumes, Damon J; Keedy, Daniel A; Lawrence, Daniel A; Chen, Daniel; Manor, Danny; Trader, Darci J; Hildeman, David A; Drewry, David H; Dowling, David J; Hosfield, David J; Smith, David M; Moreira, David; Siderovski, David P; Shum, David; Krist, David T; Riches, David WH; Ferraris, Davide Maria; Anderson, Deborah H; Coombe, Deirdre R; Welsbie, Derek S; Hu, Di; Ortiz, Diana; Alramadhani, Dina; Zhang, Dingqiang; Chaudhuri, Dipayan; Slotboom, Dirk J; Ronning, Donald R; Lee, Donghan; Dirksen, Dorian; Shoue, Douglas A; Zochodne, Douglas William; Krishnamurthy, Durga; Duncan, Dustin; Glubb, Dylan M; Gelardi, Edoardo Luigi Maria; Hsiao, Edward C; Lynn, Edward G; Silva, Elany Barbosa; Aguilera, Elena; Lenci, Elena; Abraham, Elena Theres; Lama, Eleonora; Mameli, Eleonora; Leung, Elisa; Christensen, Emily M; Mason, Emily R; Petretto, Enrico; Trakhtenberg, Ephraim F; Rubin, Eric J; Strauss, Erick; Thompson, Erik W; Cione, Erika; Lisabeth, Erika Mathes; Fan, Erkang; Kroon, Erna Geessien; Jo, Eunji; Garcia-Cuesta, Eva M; Glukhov, Evgenia; Gavathiotis, Evripidis; Yu, Fang; Xiang, Fei; Leng, Fenfei; Wang, Feng; Ingoglia, Filippo; van den Akker, Focco; Borriello, Francesco; Vizeacoumar, Franco J; Luh, Frank; Buckner, Frederick S; Vizeacoumar, Frederick S; Ben Bdira, Fredj; Svensson, Fredrik; Rodriguez, G Marcela; Bognar, Gabriella; Lembo, Gaia; Zhang, Gang; Dempsey, Garrett; Eitzen, Gary; Mayer, Gaetan; Greene, Geoffrey L; Garcia, George A; Lukacs, Gergely L; Prikler, Gergely; Parico, Gian Carlo G; Colotti, Gianni; De Keulenaer, Gilles; Cortopassi, Gino; Roti, Giovanni; Girolimetti, Giulia; Fiermonte, Giuseppe; Gasparre, Giuseppe; Leuzzi, Giuseppe; Dahal, Gopal; Michlewski, Gracjan; Conn, Graeme L; Stuchbury, Grant David; Bowman, Gregory R; Popowicz, Grzegorz Maria; Veit, Guido; de Souza, Guilherme Eduardo; Akk, Gustav; Caljon, Guy; Alvarez, Guzman; Rucinski, Gwennan; Lee, Gyeongeun; Cildir, Gokhan; Li, Hai; Breton, Hairol E; Jafar-Nejad, Hamed; Zhou, Han; Moore, Hannah P; Tilford, Hannah; Yuan, Haynes; Shim, Heesung; Wulff, Heike; Hoppe, Heinrich; Chaytow, Helena; Tam, Heng-Keat; Van Remmen, Holly; Xu, Hongyang; Debonsi, Hosana Maria; Lieberman, Howard B; Jung, Hoyoung; Fan, Hua-Ying; Feng, Hui; Zhou, Hui; Kim, Hyeong Jun; Greig, Iain R; Caliandro, Ileana; Corvo, Ileana; Arozarena, Imanol; Mungrue, Imran N; Verhamme, Ingrid M; Qureshi, Insaf Ahmed; Lotsaris, Irina; Cakir, Isin; Perry, J Jefferson P; Kwiatkowski, Jacek; Boorman, Jacob; Ferreira, Jacob; Fries, Jacob; Kratz, Jadel Mueller; Miner, Jaden; Siqueira-Neto, Jair L; Granneman, James G; Ng, James; Shorter, James; Voss, Jan Hendrik; Gebauer, Jan M; Chuah, Janelle; Mousa, Jarrod J; Maynes, Jason T; Evans, Jay D; Dickhout, Jeffrey; MacKeigan, Jeffrey P; Jossart, Jennifer N; Zhou, Jia; Lin, Jiabei; Xu, Jiake; Wang, Jianghai; Zhu, Jiaqi; Liao, Jiayu; Xu, Jingyi; Zhao, Jinshi; Lin, Jiusheng; Lee, Jiyoun; Reis, Joana; Stetefeld, Joerg; Bruning, John B; Bruning, John Burt; Coles, John G; Tanner, John J; Pascal, John M; So, Jonathan; Pederick, Jordan L; Costoya, Jose A; Rayman, Joseph B; Maciag, Joseph J; Nasburg, Joshua Alexander; Gruber, Joshua J; Finkelstein, Joshua M; Watkins, Joshua; Rodriguez-Frade, Jose Miguel; Arias, Juan Antonio Sanchez; Lasarte, Juan Jose; Oyarzabal, Julen; Milosavljevic, Julian; Cools, Julie; Lescar, Julien; Bogomolovas, Julijus; Wang, Jun; Kee, Jung-Min; Kee, Jung-Min; Liao, Junzhuo; Sistla, Jyothi C; Abrahao, Jonatas Santos; Sishtla, Kamakshi; Francisco, Karol R; Hansen, Kasper B; Molyneaux, Kathleen A; Cunningham, Kathryn A; Martin, Katie R; Gadar, Kavita; Ojo, Kayode K; Wong, Keith S; Wentworth, Kelly L; Lai, Kent; Lobb, Kevin A; Hopkins, Kevin M; Parang, Keykavous; Machaca, Khaled; Pham, Kien; Ghilarducci, Kim; Sugamori, Kim S; McManus, Kirk James; Musta, Kirsikka; Faller, Kiterie ME; Nagamori, Kiyo; Mostert, Konrad J; Korotkov, Konstantin V; Liu, Koting; Smith, Kristiana S; Sarosiek, Kristopher; Rohde, Kyle H; Kim, Kyu Kwang; Lee, Kyung Hyeon; Pusztai, Lajos; Lehtio, Lari; Haupt, Larisa M; Cowen, Leah E; Byrne, Lee J; Su, Leila; Wert-Lamas, Leon; Puchades-Carrasco, Leonor; Chen, Lifeng; Malkas, Linda H; Zhuo, Ling; Hedstrom, Lizbeth; Hedstrom, Lizbeth; Walensky, Loren D; Antonelli, Lorenzo; Iommarini, Luisa; Whitesell, Luke; Randall, Lia M; Fathallah, M Dahmani; Nagai, Maira Harume; Kilkenny, Mairi Louise; Ben-Johny, Manu; Lussier, Marc P; Windisch, Marc P; Lolicato, Marco; Lolli, Marco Lucio; Vleminckx, Margot; Caroleo, Maria Cristina; Macias, Maria J; Valli, Marilia; Barghash, Marim M; Mellado, Mario; Tye, Mark A; Wilson, Mark A; Hannink, Mark; Ashton, Mark R; dela Cerna, Mark Vincent C; Giorgis, Marta; Safo, Martin K; St Maurice, Martin; McDowell, Mary Ann; Pasquali, Marzia; Mehedi, Masfique; Serafim, Mateus Sa Magalhaes; Soellner, Matthew B; Alteen, Matthew G; Champion, Matthew M; Skorodinsky, Maxim; O'Mara, Megan L; Bedi, Mel; Rizzi, Menico; Levin, Michael; Mowat, Michael; Jackson, Michael R; Paige, Mikell; Al-Yozbaki, Minnatallah; Giardini, Miriam A; Maksimainen, Mirko M; De Luise, Monica; Hussain, Muhammad Saddam; Christodoulides, Myron; Stec, Natalia; Zelinskaya, Natalia; Van Pelt, Natascha; Merrill, Nathan M; Singh, Nathanael; Kootstra, Neeltje A; Singh, Neeraj; Gandhi, Neha S; Chan, Nei-Li; Trinh, Nguyen Mai; Schneider, Nicholas O; Matovic, Nick; Horstmann, Nicola; Longo, Nicola; Bharambe, Nikhil; Rouzbeh, Nirvan; Mahmoodi, Niusha; Gumede, Njabulo Joyfull; Anastasio, Noelle C; Ben Khalaf, Noureddine; Rabal, Obdulia; Kandror, Olga; Escaffre, Olivier; Silvennoinen, Olli; Bishop, Ozlem Tastan; Iglesias, Pablo; Sobrado, Pablo; Chuong, Patrick; O'Connell, Patrick; Martin-Malpartida, Pau; Mellor, Paul; Fish, Paul V; Moreira, Paulo Otavio Lourenco; Zhou, Pei; Liu, Pengda; Liu, Pengda; Wu, Pengpeng; Agogo-Mawuli, Percy; Jones, Peter L; Ngoi, Peter; Toogood, Peter; Ip, Philbert; von Hundelshausen, Philipp; Lee, Pil H; Rowswell-Turner, Rachael B; Balana-Fouce, Rafael; Rocha, Rafael Eduardo Oliveira; Guido, Rafael VC; Ferreira, Rafaela Salgado; Agrawal, Rajendra K; Harijan, Rajesh K; Ramachandran, Rajesh; Verma, Rajkumar; Singh, Rakesh K; Tiwari, Rakesh Kumar; Mazitschek, Ralph; Koppisetti, Rama K; Dame, Remus T; Douville, Renee N; Austin, Richard C; Taylor, Richard E; Moore, Richard G; Ebright, Richard H; Angell, Richard M; Yan, Riqiang; Kejriwal, Rishabh; Batey, Robert A; Blelloch, Robert; Vandenberg, Robert J; Hickey, Robert J; Kelm, Robert J; Lake, Robert J; Bradley, Robert K; Blumenthal, Robert M; Solano, Roberto; Gierse, Robin Matthias; Viola, Ronald E; McCarthy, Ronan R; Reguera, Rosa Maria; Uribe, Ruben Vazquez; do Monte-Neto, Rubens Lima; Gorgoglione, Ruggiero; Cullinane, Ryan T; Katyal, Sachin; Hossain, Sakib; Phadke, Sameer; Shelburne, Samuel A; Geden, Sandra E; Johannsen, Sandra; Wazir, Sarah; Legare, Scott; Landfear, Scott M; Radhakrishnan, Senthil K; Ammendola, Serena; Dzhumaev, Sergei; Seo, Seung-Yong; Li, Shan; Zhou, Shan; Chu, Shaoyou; Chauhan, Shefali; Maruta, Shinsaku; Ashkar, Shireen R; Shyng, Show-Ling; Conticello, Silvestro G; Buroni, Silvia; Garavaglia, Silvia; White, Simon J; Zhu, Siran; Tsimbalyuk, Sofiya; Chadni, Somaia Haque; Byun, Soo Young; Park, Soonju; Xu, Sophia Q; Banerjee, Sourav; Zahler, Stefan; Espinoza, Stefano; Gustincich, Stefano; Sainas, Stefano; Celano, Stephanie L; Capuzzi, Stephen J; Waggoner, Stephen N; Poirier, Steve; Olson, Steven H; Marx, Steven O; Van Doren, Steven R; Sarilla, Suryakala; Brady-Kalnay, Susann M; Dallman, Sydney; Azeem, Syeda Maryam; Teramoto, Tadahisa; Mehlman, Tamar; Swart, Tarryn; Abaffy, Tatjana; Akopian, Tatos; Haikarainen, Teemu; Moreda, Teresa Lozano; Ikegami, Tetsuro; Teixeira, Thaiz Rodrigues; Jayasinghe, Thilina D; Gillingwater, Thomas H; Kampourakis, Thomas; Richardson, Timothy I; Herdendorf, Timothy J; Kotze, Timothy J; O'Meara, Timothy R; Corson, Timothy W; Hermle, Tobias; Ogunwa, Tomisin Happy; Lan, Tong; Su, Tong; Banjo, Toshihiro; O'Mara, Tracy A; Chou, Tristan; Chou, Tsui-Fen; Baumann, Ulrich; Desai, Umesh R; Pai, Vaibhav P; Thai, Van Chi; Tandon, Vasudha; Banerji, Versha; Robinson, Victoria L; Gunasekharan, Vignesh; Namasivayam, Vigneshwaran; Segers, Vincent FM; Maranda, Vincent; Dolce, Vincenza; Maltarollo, Vinicius Goncalves; Scoffone, Viola Camilla; Woods, Virgil A; Ronchi, Virginia Paola; Le, Vuong Van Hung; Clayton, W Brent; Lowther, W Todd; Houry, Walid A; Li, Wei; Tang, Weiping; Zhang, Wenjun; Van Voorhis, Wesley C; Donaldson, William A; Hahn, William C; Kerr, William G; Gerwick, William H; Bradshaw, William J; Foong, Wuen Ee; Blanchet, Xavier; Wu, Xiaoyang; Lu, Xin; Qi, Xin; Xu, Xin; Yu, Xinfang; Qin, Xingping; Wang, Xingyou; Yuan, Xinrui; Zhang, Xu; Zhang, Yan Jessie; Hu, Yanmei; Aldhamen, Yasser Ali; Chen, Yicheng; Li, Yihe; Sun, Ying; Zhu, Yini; Gupta, Yogesh K; Perez-Pertejo, Yolanda; Li, Yong; Tang, Young; He, Yuan; Tse-Dinh, Yuk-Ching; Sidorova, Yulia A; Yen, Yun; Li, Yunlong; Frangos, Zachary J; Chung, Zara; Su, Zhengchen; Wang, Zhenghe; Zhang, Zhiguo; Liu, Zhongle; Inde, Zintis; Artia, Zoraima; Heifets, Abraham

sustainable development goals

authors

publication date

  • April 2, 2024

published in

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  • ACCURACY
  • AGGREGATION
  • ASSAYS
  • DESIGN
  • DOCKING
  • DRUG DISCOVERY
  • IDENTIFICATION
  • INFORMATION
  • Multidisciplinary Sciences
  • QSAR
  • SIMILARITY
  • Science & Technology
  • Science & Technology - Other Topics

Digital Object Identifier (DOI)

publisher

  • NATURE PORTFOLIO

volume

  • 14

issue

  • 1