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1. WO2022250726 - METHODS AND APPARATUSES FOR USING ARTIFICIAL INTELLIGENCE TRAINED TO GENERATE CANDIDATE DRUG COMPOUNDS BASED ON DIALECTS

Publication Number WO/2022/250726
Publication Date 01.12.2022
International Application No. PCT/US2021/057364
International Filing Date 29.10.2021
IPC
G06F 19/00 2018.1
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
19Digital computing or data processing equipment or methods, specially adapted for specific applications
CPC
G06F 18/2148
G16B 30/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
30ICT specially adapted for sequence analysis involving nucleotides or amino acids
G16B 40/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
40ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
G16B 40/20
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
40ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
20Supervised data analysis
G16B 50/20
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
50ICT programming tools or database systems specially adapted for bioinformatics
20Heterogeneous data integration
G16C 20/10
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
10Analysis or design of chemical reactions, syntheses or processes
Applicants
  • PEPTILOGICS, INC. [US]/[US]
Inventors
  • LEE, Francis
  • STECKBECK, Jonathan D.
  • HOLSTE, Hannes
  • MASON, Steven
Agents
  • MASON, Stephen A.
  • HARDER, Jonathan H.
Priority Data
17/404,21117.08.2021US
63/192,88125.05.2021US
Publication Language English (en)
Filing Language English (EN)
Designated States
Title
(EN) METHODS AND APPARATUSES FOR USING ARTIFICIAL INTELLIGENCE TRAINED TO GENERATE CANDIDATE DRUG COMPOUNDS BASED ON DIALECTS
(FR) PROCÉDÉS ET APPAREILS D'UTILISATION D'INTELLIGENCE ARTIFICIELLE FORMÉE POUR GÉNÉRER DES COMPOSÉS MÉDICAMENTEUX CANDIDATS À BASE DE DIALECTES
Abstract
(EN) In one aspect, a method is disclosed for using dialects to generate candidate drug compounds. The dialects describe sequences of the candidate drug compounds and activities associated with the sequences. The method includes receiving a data set, training, using the data set, first layers of a machine learning model to determine relationships of components of a portion of a string described by a first dialect. The components pertain to amino acids associated with first activity level information of the sequences. The method includes training, using the data set and the portion of the string, a final layer to generate a remainder of the string. The remainder pertains to second activity level information of the sequences. The method includes generating, using the first and final layer, the string comprising the portion and the remainder. The string represents a candidate drug compound.
(FR) Selon un aspect, un procédé d'utilisation de dialectes pour générer des composés médicamenteux candidats est divulgué. Les dialectes décrivent des séquences des composés médicamenteux candidats et des activités associées aux séquences. Le procédé comprend la réception d'un ensemble de données, la formation, à l'aide de l'ensemble de données, de premières couches d'un modèle d'apprentissage machine pour déterminer des relations de composants d'une partie d'une chaîne décrite par un premier dialecte. Les composants concernent des acides aminés associés à des premières informations de niveau d'activité des séquences. Le procédé comprend la formation, à l'aide de l'ensemble de données et de la partie de la chaîne, d'une couche finale pour générer un reste de la chaîne Le reste porte sur des secondes informations de niveau d'activité des séquences. Le procédé comprend la génération, à l'aide de la première couche et de la couche finale, de la chaîne comprenant la partie et le reste. La chaîne représente un composé médicamenteux candidat.
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