SG11201809343RA - Systems and methods for correcting error in a first classifier by evaluating classifier output in parallel - Google Patents

Systems and methods for correcting error in a first classifier by evaluating classifier output in parallel

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Publication number
SG11201809343RA
SG11201809343RA SG11201809343RA SG11201809343RA SG11201809343RA SG 11201809343R A SG11201809343R A SG 11201809343RA SG 11201809343R A SG11201809343R A SG 11201809343RA SG 11201809343R A SG11201809343R A SG 11201809343RA SG 11201809343R A SG11201809343R A SG 11201809343RA
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Singapore
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classifier
training
international
target
street
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SG11201809343RA
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Abraham Heifets
Izhar Wallach
Kong Nguyen
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Atomwise Inc
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
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Abstract

WO 18/ 183 263 A2 GPU 50 100B pective target °hied 1 Pose 1-1 Voxel map 1-1 First classifier input vector 1-1 Corresponding score 1-1 Pose 1-1, \" Respective target object Q IC Tsai iinc data set for tirst cl Neccork - intergace -82 80 First classifier convol X ' 2, I c0-1-1 f 106-1-I J -2g i: 1-1 X \"- X ' s -Q x6f j 65I N 66 1 y68-1-N j g 66-W t Fig. 1B Controller 88 CPU 74 Operating system Classifier hias elimination module lest o jeer Target object 1 Target object N Training iibiens 1 Binding data against lalget objet Binding data against taiget object N Training object W Power User interface. supply Display Keyboard (12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (43) International Publication Date 04 October 2018 (04.10.2018) W I PO I PCT Iiiimmoimiolollmonolomoluloolomiollooluomom (10) International Publication Number WO 2018/183263 A2 (51) International Patent Classification: GOOF 19/16 (2011.01) (21) International Application Number: PCT/US2018/024474 (22) International Filing Date: 27 March 2018 (27.03.2018) (25) Filing Language: English (26) Publication Language: English (30) Priority Data: 15/473,980 30 March 2017 (30.03.2017) US (71) Applicant: ATOMWISE INC. [US/US]; 1087 Mission Street, San Francisco, CA 94103 (US). (72) Inventors: HEIFETS, Abraham, Samuel; 1087 Mis- sion Street, San Francisco, CA 94103 (US). WALLACH, Izhar; 1087 Mission Street, San Francisco, CA 94103 (US). NGUYEN, Kong; 1087 Mission Street, San Francisco, CA 94103 (US). (74) Agent: LOVEJOY, Brett, A. et al.; Morgan, Lewis & Bockius LLP, One Market, Spear Street Tower, San Fran- cisco, CA 94105 (US). (81) Designated States (unless otherwise indicated, for every kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DJ, DK, DM, DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, HN, HR, HU, ID, IL, IN, IR, IS, JO, JP, KE, KG, KH, KN, KP, KR, KW, KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (84) Designated States (unless otherwise indicated, for every kind of regional protection available): ARIPO (BW, GH, GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, LV, MC, MK, MT, NL, NO, PL, PT, RO, RS, SE, SI, SK, SM, TR), OAPI (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, KM, ML, MR, NE, SN, TD, TG). - (54) Title: SYSTEMS AND METHODS FOR CORRECTING ERROR IN A FIRST CLASSIFIER BY EVALUATING CLASSIFIER — OUTPUT IN PARALLEL (57) : Systems and methods for classifying a test object are provided. For each respective target object in a plurality of target objects, a first procedure is performed comprising (a) posing the test object against the respective target thereby obtaining an interaction between the test and target, and (b) scoring the interaction with a first classifier. Each such score across the plurality of targets forms a test vector that is inputted into a second classifier thereby obtaining an indication of a target object. The second classifier is trained on training vectors, each being the output from instances of the first classifier after inputting a corresponding training object in a plurality of training objects in accordance with the first procedure. Each object in one subset of the training objects is uniquely associated with one of the targets. Another subset of the training objects is not associated with the targets. [Continued on next page] WO 2018/183263 A2 MIDIOH01101 DIVEFIE0 IIIIINI1101111111111111111111110111111111111 Declarations under Rule 4.17: as to applicant's entitlement to apply for and be granted a patent (Rule 4.17(11)) as to the applicant's entitlement to claim the priority of the earlier application (Rule 4.17(iii)) Published: without international search report and to be republished upon receipt of that report (Rule 48.2(g))
SG11201809343RA 2017-03-30 2018-03-27 Systems and methods for correcting error in a first classifier by evaluating classifier output in parallel SG11201809343RA (en)

Applications Claiming Priority (2)

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US15/473,980 US10546237B2 (en) 2017-03-30 2017-03-30 Systems and methods for correcting error in a first classifier by evaluating classifier output in parallel
PCT/US2018/024474 WO2018183263A2 (en) 2017-03-30 2018-03-27 Systems and methods for correcting error in a first classifier by evaluating classifier output in parallel

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JP (1) JP7121725B2 (en)
CN (1) CN109964278B (en)
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