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The seventh blind test of crystal structure prediction: structure ranking methods.

Autor: Hunnisett LM; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Francia N; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Nyman J; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Abraham NS; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, IL 60064, USA., Aitipamula S; Crystallization and Particle Sciences, Institute of Chemical and Engineering Sciences, 1, Pesek Road, Singapore, 627833, Singapore., Alkhidir T; Green Chemistry and Materials Modelling Laboratory, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, United Arab Emirates., Almehairbi M; Green Chemistry and Materials Modelling Laboratory, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, United Arab Emirates., Anelli A; Roche Pharma Research and Early Development, Therapeutic Modalities, Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd, Grenzacherstrasse 124, 4070 Basel, Switzerland., Anstine DM; Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA., Anthony JE; Department of Chemistry, University of Kentucky, Lexington, KY 40506, USA., Arnold JE; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Bahrami F; Department of Chemistry, Faculty of Science, Science Boulevard, Ferdowsi University of Mashhad, Mashhad, Iran., Bellucci MA; XtalPi Inc, 245 Main Street, Cambridge, MA 02142, USA., Beran GJO; Department of Chemistry, University of California, Riverside, CA 92521, USA., Bhardwaj RM; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, IL 60064, USA., Bianco R; Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, CroatiaCroatia., Bis JA; Catalent Pharma Solutions, 160 Pharma Drive, Morrisville, NC 27560, USA., Boese AD; Department of Chemistry, University of Graz, Heinrichstrasse 28, Graz, Austria., Bramley J; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Braun DE; University of Innsbruck, Institute of Pharmacy, Innrain 52c, A-6020 Innsbruck, Austria., Butler PWV; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Cadden J; Crystallization and Particle Sciences, Institute of Chemical and Engineering Sciences, 1, Pesek Road, Singapore, 627833, Singapore., Carino S; Catalent Pharma Solutions, 160 Pharma Drive, Morrisville, NC 27560, USA., Červinka C; Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic., Chan EJ; Department of Chemistry, New York University, New York, NY 10003, USA., Chang C; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Clarke SM; Department of Chemistry, Dalhousie University, 6274 Coburg Road, Dalhousie, Halifax, Canada., Coles SJ; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Cook CJ; Department of Chemistry, University of California, Riverside, CA 92521, USA., Cooper RI; Department of Chemistry, University of Oxford, 12 Mansfield Road, Oxford OX1 3TA, UK., Darden T; OpenEye Scientific Software, 9 Bisbee Court, Santa Fe, NM 87508, USA., Day GM; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Deng W; Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA., Dietrich H; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., DiPasquale A; Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Dhokale B; Green Chemistry and Materials Modelling Laboratory, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, United Arab Emirates., van Eijck BP; University of Utrecht (Retired), Department of Crystal and Structural Chemistry, Padualaan 8, 3584 CH Utrecht, The Netherlands., Elsegood MRJ; Chemistry Department, Loughborough University, Loughborough LE11 3TU, UK., Firaha D; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Fu W; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Fukuzawa K; Graduate School of Pharmaceutical Sciences, Osaka University, 1-6 Yamadaoka, Suita, Osaka 656-0871, Japan., Galanakis N; Department of Chemistry, New York University, New York, NY 10003, USA., Goto H; Information and Media Center, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580, Japan., Greenwell C; XtalPi Inc, 245 Main Street, Cambridge, MA 02142, USA., Guo R; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK., Harter J; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Helfferich J; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Hoja J; Department of Chemistry, University of Graz, Heinrichstrasse 28, Graz, Austria., Hone J; Syngenta Ltd., Jealott's Hill International Research Station, Berkshire, RG42 6EY, UK., Hong R; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, IL 60064, USA., Hušák M; Department of Solid State Chemistry, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic., Ikabata Y; Information and Media Center, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580, Japan., Isayev O; Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA., Ishaque O; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Jain V; OpenEye Scientific Software, 9 Bisbee Court, Santa Fe, NM 87508, USA., Jin Y; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Jing A; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Johnson ER; Department of Chemistry, Dalhousie University, 6274 Coburg Road, Dalhousie, Halifax, Canada., Jones I; Syngenta Ltd., Jealott's Hill International Research Station, Berkshire, RG42 6EY, UK., Jose KVJ; School of Chemistry, University of Hyderabad, Professor C.R. Rao Road, Gachibowli, Hyderabad, 500046 Telangana, India., Kabova EA; School of Pharmacy, University of Reading, Whiteknights, Reading, RG6 6AD, UK., Keates A; Syngenta Ltd., Jealott's Hill International Research Station, Berkshire, RG42 6EY, UK., Kelly PF; Chemistry Department, Loughborough University, Loughborough LE11 3TU, UK., Klimeš J; Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16 Prague, Czech Republic., Kostková V; Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic., Li H; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Lin X; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., List A; Department of Chemistry, University of Graz, Heinrichstrasse 28, Graz, Austria., Liu C; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Liu YM; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Liu Z; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Lončarić I; Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, CroatiaCroatia., Lubach JW; Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Ludík J; Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic., Maryewski AA; Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, 121205 Moscow, Russia., Marom N; Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA., Matsui H; Graduate School of Organic Materials Science, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Yamagata, Japan., Mattei A; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, IL 60064, USA., Mayo RA; Department of Chemistry, Dalhousie University, 6274 Coburg Road, Dalhousie, Halifax, Canada., Melkumov JW; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Mladineo B; Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, CroatiaCroatia., Mohamed S; Green Chemistry and Materials Modelling Laboratory, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, United Arab Emirates., Momenzadeh Abardeh Z; Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, 121205 Moscow, Russia., Muddana HS; OpenEye Scientific Software, 9 Bisbee Court, Santa Fe, NM 87508, USA., Nakayama N; Information and Media Center, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580, Japan., Nayal KS; Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA., Neumann MA; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Nikhar R; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Obata S; Information and Media Center, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580, Japan., O'Connor D; Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA., Oganov AR; Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, 121205 Moscow, Russia., Okuwaki K; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan., Otero-de-la-Roza A; Department of Analytical and Physical Chemistry, Faculty of Chemistry, University of Oviedo, Julián Clavería 8, 33006 Oviedo, Spain., Parkin S; Department of Chemistry, University of Kentucky, Lexington, KY 40506, USA., Parunov A; Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, CroatiaCroatia., Podeszwa R; Institute of Chemistry, University of Silesia in Katowice, Szkolna 9, 40-006 Katowice, Poland., Price AJA; Department of Chemistry, Dalhousie University, 6274 Coburg Road, Dalhousie, Halifax, Canada., Price LS; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK., Price SL; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK., Probert MR; School of Natural and Environmental Sciences, Newcastle University, Kings Road, Newcastle NE1 7RU, UK., Pulido A; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Ramteke GR; School of Chemistry, University of Hyderabad, Professor C.R. Rao Road, Gachibowli, Hyderabad, 500046 Telangana, India., Rehman AU; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Reutzel-Edens SM; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Rogal J; Department of Chemistry, New York University, New York, NY 10003, USA., Ross MJ; School of Pharmacy, University of Reading, Whiteknights, Reading, RG6 6AD, UK., Rumson AF; Department of Chemistry, Dalhousie University, 6274 Coburg Road, Dalhousie, Halifax, Canada., Sadiq G; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Saeed ZM; Green Chemistry and Materials Modelling Laboratory, Khalifa University of Science and Technology, PO Box 127788, Abu Dhabi, United Arab Emirates., Salimi A; Department of Chemistry, Faculty of Science, Science Boulevard, Ferdowsi University of Mashhad, Mashhad, Iran., Sasikumar K; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Sekharan S; XtalPi Inc, 245 Main Street, Cambridge, MA 02142, USA., Shankland K; School of Pharmacy, University of Reading, Whiteknights, Reading, RG6 6AD, UK., Shi B; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Shi X; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Shinohara K; Graduate School of Organic Materials Science, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Yamagata, Japan., Skillman AG; OpenEye Scientific Software, 9 Bisbee Court, Santa Fe, NM 87508, USA., Song H; Department of Chemistry, New York University, New York, NY 10003, USA., Strasser N; Department of Chemistry, University of Graz, Heinrichstrasse 28, Graz, Austria., van de Streek J; Avant-garde Materials Simulation, Alte Strasse 2, 79249 Merzhausen, Germany., Sugden IJ; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Sun G; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Szalewicz K; Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA., Tan L; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Tang K; Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA., Tarczynski F; Catalent Pharma Solutions, 160 Pharma Drive, Morrisville, NC 27560, USA., Taylor CR; School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK., Tkatchenko A; Department of Physics and Materials Science, University of Luxembourg, 1511 Luxembourg City, Luxembourg., Touš P; Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, 16628 Prague, Czech Republic., Tuckerman ME; Department of Chemistry, New York University, New York, NY 10003, USA., Unzueta PA; Department of Chemistry, University of California, Riverside, CA 92521, USA., Utsumi Y; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan., Vogt-Maranto L; Department of Chemistry, New York University, New York, NY 10003, USA., Weatherston J; School of Natural and Environmental Sciences, Newcastle University, Kings Road, Newcastle NE1 7RU, UK., Wilkinson LJ; Chemistry Department, Loughborough University, Loughborough LE11 3TU, UK., Willacy RD; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK., Wojtas L; Department of Chemistry, University of South Florida, USF Research Park, 3720 Spectrum Blvd, IDRB 202, Tampa, FL 33612 USA., Woollam GR; Novartis Pharma AG, Basel 4002, Switzerland., Yang Y; Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA., Yang Z; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Yonemochi E; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan., Yue X; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Zeng Q; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Zhou T; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Zhou Y; XtalPi Inc., International Biomedical Innovation Park II 3F 2 Hongliu Road, Futian District, Shenzhen, Guangdong, China., Zubatyuk R; Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA., Cole JC; The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK.

Publikováno v: Acta crystallographica Section B, Structural science, crystal engineering and materials [Acta Crystallogr B Struct Sci Cryst Eng Mater] 2024 Dec 01. Date of Electronic Publication: 2024 Dec 01.