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1. (WO2018227167) PREDICTING MOLECULAR PROPERTIES OF MOLECULAR VARIANTS USING RESIDUE-SPECIFIC MOLECULAR STRUCTURAL FEATURES
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Pub. No.: WO/2018/227167 International Application No.: PCT/US2018/036777
Publication Date: 13.12.2018 International Filing Date: 08.06.2018
IPC:
G06F 19/18 (2011.01) ,G06F 19/24 (2011.01) ,C40B 30/02 (2006.01) ,C40B 30/10 (2006.01)
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
F
ELECTRIC DIGITAL DATA PROCESSING
19
Digital computing or data processing equipment or methods, specially adapted for specific applications
10
Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
18
for functional genomics or proteomics, e.g. genotype-phenotype associations, linkage disequilibrium, population genetics, binding site identification, mutagenesis, genotyping or genome annotation, protein-protein interactions or protein-nucleic acid interactions
G PHYSICS
06
COMPUTING; CALCULATING; COUNTING
F
ELECTRIC DIGITAL DATA PROCESSING
19
Digital computing or data processing equipment or methods, specially adapted for specific applications
10
Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
24
for machine learning, data mining or biostatistics, e.g. pattern finding, knowledge discovery, rule extraction, correlation, clustering or classification
C CHEMISTRY; METALLURGY
40
COMBINATORIAL TECHNOLOGY
B
COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICO LIBRARIES
30
Methods of screening libraries
02
In silico screening
C CHEMISTRY; METALLURGY
40
COMBINATORIAL TECHNOLOGY
B
COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICO LIBRARIES
30
Methods of screening libraries
10
by measuring physical properties, e.g. mass
Applicants:
JUST BIOTHERAPEUTICS, INC. [US/US]; 400 Terry Avenue North Seattle, WA 98109, US
Inventors:
SHAVER, Jeremy, Martin; US
KETCHEM, Randal, Robert; US
Agent:
PIRIO, Maurice; US
ALBERTO, G., Araiza; US
AI, Bing; US
ARNETT, Stephen, E.; US
SUMEDHA, Ahuja; US
Priority Data:
62/517,04808.06.2017US
Title (EN) PREDICTING MOLECULAR PROPERTIES OF MOLECULAR VARIANTS USING RESIDUE-SPECIFIC MOLECULAR STRUCTURAL FEATURES
(FR) PRÉDICTION DE PROPRIÉTÉS MOLÉCULAIRES DE VARIANTS MOLÉCULAIRES EN UTILISANT DES CARACTÉRISTIQUES STRUCTURALES MOLÉCULAIRES SPÉCIFIQUES AUX RÉSIDUS
Abstract:
(EN) A system for generating a model for predicting a molecular property of a variant of a molecule is provided. For each of a plurality of variants of the molecule, the system for each structural feature, aggregates the values for the structural features of the residues of the molecule that were modified to form the variant to form a feature vector for the variant. The system assigns the value for the molecular property of the variant to the feature vector wherein the feature vector and the assigned value form training data. The system then generates the model for predicting a value for the molecular property using the training data for the plurality of variants.
(FR) L'invention concerne un système pour générer un modèle de prédiction d'une propriété moléculaire d'une variante d'une molécule. Pour chacun d'une pluralité de variantes de la molécule, le système, pour chaque caractéristique structurale, agrège les valeurs pour les caractéristiques structurales des résidus de la molécule qui ont été modifiées pour former la variante afin de former un vecteur de caractéristiques pour la variante. Le système attribue la valeur pour la propriété moléculaire de la variante au vecteur de caractéristiques, le vecteur de caractéristiques et la valeur attribuée formant des données d'apprentissage. Le système génère ensuite le modèle pour prédire une valeur pour la propriété moléculaire en utilisant les données d'apprentissage pour la pluralité de variantes.
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Designated States: 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
African Regional Intellectual Property Organization (ARIPO) (BW, GH, GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW)
Eurasian Patent Office (AM, AZ, BY, KG, KZ, RU, TJ, TM)
European Patent Office (EPO) (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)
African Intellectual Property Organization (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, KM, ML, MR, NE, SN, TD, TG)
Publication Language: English (EN)
Filing Language: English (EN)