2 research outputs found
AI is a viable alternative to high throughput screening: a 318-target study
- Author
- Abaffy Tatjana
- Abraham Elena Theres
- Abrahão Jônatas Santos
- Abramyan Tigran M.
- Agianian Bogos
- Agogo-Mawuli Percy
- Agoulnik Alexander I.
- Agrawal Rajendra K.
- Aguilera Elena
- Ahmed Mostafa
- Akk Gustav
- Akopian Tatos
- Al-Yozbaki Minnatallah
- Aldhamen Yasser Ali
- Alkan Cigdem
- Alramadhani Dina
- Alteen Matthew G.
- Alvarez Guzmán
- Ammendola Serena
- Anastasio Noelle C.
- Anderson Brandon M.
- Anderson Deborah H.
- Andricopulo Adriano D.
- Angell Richard M.
- Anthis Nicholas J.
- Antonelli Lorenzo
- Apfel Athena Marie
- Arias Juan Antonio Sanchez
- Arozarena Imanol
- Arrigoni Cristina
- Artía Zoraima
- Ashkar Shireen R.
- Ashton Mark R.
- Austin Richard C.
- Ayachi Aicha Gharbi
- Azeem Syeda Maryam
- Bailey-Elkin Ben A.
- Balakrishnan Bijina
- Balaña-Fouce Rafael
- Ballatore Carlo
- Banerjee Sourav
- Banerji Versha
- Banjo Toshihiro
- Barghash Marim M.
- Batey Robert A.
- Battistoni Andrea
- Baumann Ulrich
- Bdira Fredj Ben
- Bedi Mel
- Ben-Johny Manu
- Bergman Bastiaan
- Bernard Denzil
- Berti Andrew
- Bharambe Nikhil
- Bishop Ozlem Tastan
- Blanchet Xavier
- Blelloch Robert
- Blumenthal Robert M.
- Bognár Gabriella
- Bogomolovas Julijus
- Bon Carlotta
- Boorman Jacob
- Borowska Anna
- Borriello Francesco
- Bowman Gregory R.
- Bradley Robert K.
- Bradshaw William J.
- Brady-Kalnay Susann M.
- Breton Hairol E.
- Bruning John B.
- Bruning John Burt
- Bryant-Friedrich Amanda
- Buckner Frederick S.
- Buroni Silvia
- Butler Brittany
- Byrne Lee J.
- Byun Soo Young
- Caflisch Amedeo
- Cakir Isin
- Caliandro Ileana
- Caljon Guy
- Cann Andrew B.
- Caporali Andrea
- Capuzzi Stephen J.
- Caroleo Maria Cristina
- Cathcart Ann M.
- Celano Stephanie L.
- Cerna Mark Vincent C. dela
- Chadni Somaia Haque
- Champion Matthew M.
- Chan Nei-Li
- Chapman Carly J.
- Chaton Catherine T.
- Chatterjee Arnab K.
- Chaudhuri Dipayan
- Chauhan Shefali
- Chaytow Helena
- Chen Daniel
- Chen Lifeng
- Chen Yicheng
- Chern Ting-Rong
- Chini Andrea
- Chou Tristan
- Chou Tsui-Fen
- Christensen Emily M.
- Christodoulides Myron
- Chu Shaoyou
- Chua Benjamin Soon Kai
- Chuah Janelle
- Chung Zara
- Chuong Patrick
- Ciccia Alberto
- Cildir Gökhan
- Cione Erika
- Clayton W. Brent
- Coles John G.
- Colomba Audrey
- Colotti Gianni
- Conn Graeme L.
- Conticello Silvestro G.
- Contreras Stephanie
- Cools Julie
- Coombe Deirdre R.
- Corson Timothy W.
- Cortopassi Gino
- Corvo Ileana
- Costoya Jose A.
- Cowen Leah E.
- Cox Bryan D.
- Cuddihy Andrew R.
- Cullinane Ryan T.
- Cunningham Kathryn A.
- Dahal Gopal
- Dallman Sydney
- Dame Remus T.
- Davtyan Aram
- De Keulenaer Gilles
- De Luise Monica
- de Oliveira Aldo Sena
- de Oliveira Saulo
- de Sousa Alessandra Mara
- de Souza Guilherme Eduardo
- Debonsi Hosana Maria
- Degterev Alexei
- DeHaan Nicholas
- Del Rio Flores Antonio
- Dempsey Garrett
- Desai Umesh R.
- Diallo Bakary N’tji
- Dickhout Jeffrey
- Dickinson Bryan C.
- Dieck Chelsea L.
- Dirksen Dorian
- do Monte-Neto Rubens Lima
- Dolce Vincenza
- Donaldson William A.
- Douville Renée N.
- Dowling David J.
- Drewry David H.
- Duggan Brendan M.
- Duncan Dustin
- Dymock Brian W.
- Dzhumaev Sergei
- D’Antuono Anna
- Ebright Richard H.
- Eckert Sam
- Edelman Benjamin L.
- Eitzen Gary
- ElSheikh Assmaa
- Englinger Bernhard
- Escaffre Olivier
- Espinoza Stefano
- Evans Jay D.
- Faller Kiterie M. E.
- Fan Erkang
- Fan Hua-Ying
- Fathallah M. Dahmani
- Feng Hui
- Ferrando Adolfo A.
- Ferraris Davide Maria
- Ferreira Jacob
- Ferreira Rafaela Salgado
- Fiermonte Giuseppe
- Finkelstein Joshua M.
- Fiorillo Annarita
- Fish Paul V.
- Foong Wuen Ee
- Foote Andrea Talbot
- Francisco Karol R.
- Frangos Zachary J.
- Fraser Cameron
- Freiberg Alexander N.
- Freywald Andrew
- Friedland Greg
- Fries Jacob
- Gadar Kavita
- Gandhi Neha S.
- Garaeva Alisa A.
- Garavaglia Silvia
- Garcia George A.
- García-Cuesta Eva M.
- Garmendia Antonio E.
- Gasparre Giuseppe
- Gavathiotis Evripidis
- Gebauer Jan M.
- Geden Sandra E.
- Geisbrecht Brian V.
- Gelardi Edoardo Luigi Maria
- Gerwick William H.
- Ghilarducci Kim
- Ghosh Agnidipta
- Giardini Miriam A.
- Gierse Robin Matthias
- Giesler Kyle
- Gillingwater Thomas H.
- Gingras Alexandre R.
- Giorgis Marta
- Girolimetti Giulia
- Glubb Dylan M.
- Glukhov Evgenia
- Gniewek Pawel
- Goldenberg Joshua M.
- Gong Bin
- Gorgoglione Ruggiero
- Granneman James G.
- Greene Geoffrey L.
- Greig Iain R.
- Gruber Joshua J.
- Guido Rafael V. C.
- Gumede Njabulo Joyfull
- Gunasekharan Vignesh
- Gupta Tushita
- Gupta Yogesh K.
- Gustincich Stefano
- Haas Arthur L.
- Hahn William C.
- Haikarainen Teemu
- Hammock Bruce D.
- Hannink Mark
- Hansen Kasper B.
- Hare Stephanie
- Harijan Rajesh K.
- Haupt Larisa M.
- He Yuan
- Hedstrom Lizbeth
- Hedstrom Lizbeth
- Heifets Abraham
- Henriksen Niel
- Herdendorf Timothy J.
- Hermle Tobias
- Herr Andrew B.
- Hickey Robert J.
- Hildeman David A.
- Hirsch Anna K. H.
- Ho Gregory
- Hopkins Kevin M.
- Hoppe Heinrich
- Horstmann Nicola
- Hosfield David J.
- Hossain Sakib
- Houry Walid A.
- Hsiao Edward C.
- Hu Di
- Hu Yanmei
- Huang Chang
- Huimei Chen
- Hussain Muhammad Saddam
- Iglesias Pablo
- Ikegami Tetsuro
- Ilari Andrea
- Inde Zintis
- Ingoglia Filippo
- Iommarini Luisa
- Ip Philbert
- Jackson Michael R.
- Jafar-Nejad Hamed
- Jayasinghe Thilina D.
- Jo Eunji
- Johannsen Sandra
- John Ashley L. St.
- Jones Peter L.
- Jossart Jennifer N.
- Jung Hoyoung
- Kahler Charlene M.
- Kampourakis Thomas
- Kandror Olga
- Karan Charles
- Katyal Sachin
- Kee Jung-Min
- Kee Jung-Min
- Keedy Daniel A.
- Kejriwal Rishabh
- Keller Charles
- Kelm Robert J.
- Kemet Chinyere Maat
- Kenyon Victor
- Kerr William G.
- Khalaf Noureddine Ben
- Kilkenny Mairi Louise
- Kim Hyeong Jun
- Kim Kyu Kwang
- Kootstra Neeltje A.
- Koppisetti Rama K.
- Korotkov Konstantin V.
- Kotzé Timothy J.
- Kováts Benjámin
- Kratz Jadel Müller
- Krishnamurthy Durga
- Krist David T.
- Kroon Erna Geessien
- Kushnir Alexander
- Kwiatkowski Jacek
- Laggner Christian
- Lai Kent
- Lake Robert J.
- Lam Andrew
- Lama Eleonora
- Lan Tong
- Landfear Scott M.
- Lasarte Juan José
- Lawrence Daniel A.
- Lee Andreia H.
- Lee Donghan
- Lee Gyeongeun
- Lee Jiyoun
- Lee Kyung Hyeon
- Lee Pil H.
- Legare Scott
- Lehtiö Lari
- Lembo Gaia
- Lempicki Camille
- Lenci Elena
- Leng Fenfei
- Lescar Julien
- Leung Elisa
- Leuzzi Giuseppe
- Levin Michael
- Li Hai
- Li Shan
- Li Wei
- Li Yihe
- Li Yong
- Li Yunlong
- Liao Jiayu
- Liao Junzhuo
- Lieberman Howard B.
- Lin Jiabei
- Lin Jiusheng
- Liou Benjamin
- Lisabeth Erika Mathes
- Liu Chen
- Liu Koting
- Liu Pengda
- Liu Pengda
- Liu Zhongle
- Lobb Kevin A.
- Lolicato Marco
- Lolli Marco Lucio
- Longo Nicola
- Lotsaris Irina
- Lowther W. Todd
- Loy Cody A.
- Lu Xin
- Luh Frank
- Lukacs Gergely L.
- Luo Dahai
- Lussier Marc P.
- Lynn Edward G.
- Machaca Khaled
- Maciag Joseph J.
- Macias Maria J.
- MacKeigan Jeffrey P.
- Mahmoodi Niusha
- Maksimainen Mirko M.
- Malkas Linda H.
- Maltarollo Vinícius Gonçalves
- Mameli Eleonora
- Manor Danny
- Mantri Chinmay Kumar
- Maranda Vincent
- Martin Katie R.
- Martin-Malpartida Pau
- Maruta Shinsaku
- Marx Steven O.
- Mason Emily R.
- Matheeussen An
- Matovic Nick
- Mattevi Andrea
- Maurice Martin St.
- Mayer Gaétan
- Maynes Jason T.
- Mazitschek Ralph
- McCarthy Ronan R.
- McDowell Mary Ann
- McManus Kirk James
- Mehedi Masfique
- Mehlman Tamar
- Mellado Mario
- Mellor Paul
- Merrill Nathan M.
- Michlewski Gracjan
- Milosavljevic Julian
- Minakova Anna
- Miner Jaden
- Moharreri Ehsan
- Molyneaux Kathleen A.
- Montanaro Anna
- Moore Hannah P.
- Moore Richard G.
- Moreda Teresa Lozano
- Moreira David
- Moreira Paulo Otávio Lourenço
- Morisseau Christophe
- Morrison Adrian
- Morten Brianna C.
- Mostert Konrad J.
- Mota Bruno Eduardo Fernandes
- Motyl Anna A. L.
- Mousa Jarrod J.
- Mowat Michael
- Muli Christine S.
- Mungrue Imran N.
- Mushtaq Aisha
- Musta Kirsikka
- Müller Anna
- Müller Christa E.
- Myhr Courtney
- Mysinger Michael
- Mysore Venkatesh
- Nagai Maira Harume
- Nagamori Kiyo
- Namasivayam Vigneshwaran
- Nasburg Joshua Alexander
- Ng Ho Leung
- Ng James
- Ngo Lien
- Ngoi Peter
- Nguyen Kong
- Novina Carl D.
- null null
- Ogunwa Tomisin Happy
- Ojha Anil K.
- Ojo Kayode K.
- Olson Steven H.
- Ortiz Diana
- Oyarzabal Julen
- O’Brien Terrence E.
- O’Connell Patrick
- O’Dea Austin
- O’Donoghue Anthony J.
- O’Mara Megan L.
- O’Mara Tracy A.
- O’Meara Timothy R.
- O’Sullivan Ann Marie
- Pai Vaibhav P.
- Paige Mikell
- Palazzo Teresa
- Panganiban Antonito T.
- Paparella Ashleigh S.
- Parang Keykavous
- Parico Gian Carlo G.
- Park Soonju
- Partch Carrie L.
- Pascal John M.
- Pasquali Marzia
- Patel Amit K.
- Paulino Cristina
- Pederick Jordan L.
- Peltier Cheryl
- Pemberton Ryan P.
- Perry Benjamin
- Perry J. Jefferson P.
- Petretto Enrico
- Pérez-Pertejo Yolanda
- Phadke Sameer
- Pham Kien
- Pineda-Lucena Antonio
- Poirier Steve
- Popowicz Grzegorz Maria
- Porcelli Anna Maria
- PrasadPrasad Srimukh Veccham Krishna
- Presser Adam G.
- Pressly Brandon
- Prikler Gergely
- Prince Ashutosh
- Puchades-Carrasco Leonor
- Pusztai Lajos
- Qi Xin
- Qin Xingping
- Qureshi Insaf Ahmed
- Rabal Obdulia
- Radhakrishnan Senthil K.
- Ramachandran Rajesh
- Randall Lía M.
- Rangarajan Amith Vikram
- Rayman Joseph B.
- Reglero Clara
- Reguera Rosa Maria
- Reidenbach Andrew G.
- Reis Joana
- Ribeiro Beatriz Murta Rezende Moraes
- Richardson Timothy I.
- Riches David W. H.
- Rizzi Menico
- Robinson Victoria L.
- Rocha Rafael Eduardo Oliveira
- Rodriguez G. Marcela
- Rodríguez-Frade José Miguel
- Rohde Kyle H.
- Ronchi Virginia Paola
- Ronning Donald R.
- Rosnik Andreana
- Roti Giovanni
- Rouzbeh Nirvan
- Rowswell-Turner Rachael B.
- Rubin Eric J.
- Rucinski Gwennan
- Safo Martin K.
- Sainas Stefano
- Salas Brenda P. Medellin
- Samantha Ariela
- Samudio Ben
- Santiago César
- Sarangapani Krishna
- Sarilla Suryakala
- Sarosiek Kristopher
- Schneider Nicholas O.
- Schroedl Stefan
- Scoffone Viola Camilla
- Segers Vincent F. M.
- Seo Seung-Yong
- Serafim Mateus Sá Magalhães
- Shaqra Ala M.
- Shek Stefani
- Shelburne Samuel A.
- Shim Heesung
- Shorter James
- Shoue Douglas A.
- Shum David
- Shyng Show-Ling
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- Silva Elany Barbosa
- Silvennoinen Olli
- Singh Nathanael
- Singh Neeraj
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- Sobrado Pablo
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- Stec Natalia
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- Strauss Erick
- Stuchbury Grant David
- Su Leila
- Su Tong
- Su Zhengchen
- Sugamori Kim S.
- Sun Ying
- Suterwala Shabbir
- Svensson Fredrik
- Sverzhinsky Aleksandr
- Swart Tarryn
- Taglialatela Angelo
- Tam Heng-Keat
- Tandon Vasudha
- Tang Weiping
- Tang Young
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- Taylor Richard E.
- Teixeira Thaiz Rodrigues
- Teramoto Tadahisa
- Thai Van Chi
- Thayer Desiree
- Thomas Bill
- Thompson Erik W.
- Tilford Hannah
- Tiwari Rakesh Kumar
- Toh Alan Kie Leong
- Tomilov Alexey
- Toogood Peter
- Torner Carles
- Trabocchi Andrea
- Trader Darci J.
- Trakhtenberg Ephraim F.
- Trinh Nguyen Mai
- Truong Ha
- Tse-Dinh Yuk-Ching
- Tsimbalyuk Sofiya
- Tumes Damon J.
- Tye Mark A.
- Uribe Ruben Vazquez
- Valli Marilia
- van den Akker Focco
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- Van Doren Steven R.
- Van Grack Tessa
- Van Hung Le Vuong
- Van Pelt Natascha
- Van Remmen Holly
- Van Voorhis Wesley C.
- Vandenberg Robert J.
- Veit Guido
- Verhamme Ingrid M.
- Verma Rajkumar
- Viola Ronald E.
- Virtanen Anniina
- Vizeacoumar Franco J.
- Vizeacoumar Frederick S.
- Vleminckx Margot
- von Hundelshausen Philipp
- Voss Jan Hendrik
- Vrielink Alice
- Waggoner Stephen N.
- Walensky Loren D.
- Wallach Izhar
- Wang Feng
- Wang Jianghai
- Wang Jun
- Wang Xingyou
- Wang Zhenghe
- Warrington Jeffrey M.
- Watkins Joshua
- Wazir Sarah
- Weber Christian
- Welsbie Derek S.
- Wentworth Kelly L.
- Wert-Lamas Leon
- White Andrew
- White Simon J.
- Whitesell Luke
- Williams Tiffany
- Wilson Cornelia M.
- Wilson Mark A.
- Windisch Marc P.
- Wong Keith S.
- Woods Virgil A.
- Worley Brad
- Wu Pengpeng
- Wu Xiaoyang
- Wulff Heike
- Xiang Fei
- Xu Hongyang
- Xu Jiake
- Xu Jingyi
- Xu Sophia Q.
- Xu Xin
- Yan Riqiang
- Yang Chao-Yie
- Yen Yun
- Young Matthew A.
- Yu Fang
- Yu Xinfang
- Yuan Haynes
- Yuan Xinrui
- Zahler Stefan
- Zeina Christina M.
- Zelinskaya Natalia
- Zhang Dingqiang
- Zhang Gang
- Zhang Wenjun
- Zhang Xu
- Zhang Yan Jessie
- Zhang Zhiguo
- Zhao Jinshi
- Zhou Han
- Zhou Hui
- Zhou Jia
- Zhou Pei
- Zhou Shan
- Zhu Jiaqi
- Zhu Siran
- Zhu Yini
- Zhuo Ling
- Zochodne Douglas William
- Publication venue
- Publication date
- 01/01/2024
- Field of study
: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery
Self-Supported Nano-WO 3 Foams formed by Self-Assembly of Non-Woven Mats
- Publication venue
- Publication date
- 01/10/2016
- Field of study