WO2023175563 - METHODS, MEDIUMS, AND SYSTEMS FOR DETERMINING VARIATION RELATING TO COMPOUND STRUCTURES
National phase entry:
Publication Number
WO/2023/175563
Publication Date
21.09.2023
International Application No.
PCT/IB2023/052597
International Filing Date
16.03.2023
Title **
[English]
METHODS, MEDIUMS, AND SYSTEMS FOR DETERMINING VARIATION RELATING TO COMPOUND STRUCTURES
[French]
PROCÉDÉS, SUPPORTS ET SYSTÈMES POUR DÉTERMINER UNE VARIATION RELATIVE À DES STRUCTURES DE COMPOSÉS
Applicants **
WATERS TECHNOLOGIES IRELAND LIMITED
Inventors
VISSERS, Johannes
RICHARDSON, Keith
Priority Data
63/320,419
16.03.2022
US
Application details
| Total Number of Claims/PCT | * |
| Number of Independent Claims | * |
| Number of Priorities | * |
| Number of Multi-Dependent Claims | * |
| Number of Drawings | * |
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| Pages of Specification | * |
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International Searching Authority |
EPO
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| Recordal of a Change of the Applicant's Name/Address |
Change of Applicant's Name and Address
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| Type of Assignment |
The Standard Agent's Assignment
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| Applicant's Legal Status |
Legal Entity
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| * | |
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| Entry into National Phase under |
Chapter I
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| Patent Delivery |
Send the Letters Patent by Courier
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| Translation |
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* The data is based on automatic recognition. Please verify and amend if necessary.
** IP-Coster compiles data from publicly available sources. If this data includes your personal information, you can contact us to request its removal.
Quotation for National Phase entry
| Country | Stages | Total | |
|---|---|---|---|
| China | Filing, Examination, Granting | 2160 | |
| EPO | Filing, Examination, Granting | 10680 | |
| Japan | Filing, Examination, Granting | 2336 | |
| South Korea | Filing, Examination, Granting | 2320 | |
| USA | Filing, Examination, Granting | 7740 |
Total:
25,236
The term for entry into the National Phase has expired. This quotation is for informational purposes only
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Abstract[English]
Exemplary embodiments pertain to methods, mediums, and systems for using molecular properties of chemical compounds to quantify error or variation in collision cross-section predictions. For example, the CCS prediction may determine a location of charge on the compound, and the molecular properties (such as the length normalized residue value or Van der Waals volume of the compound) may be used to assign an error value to the prediction. These error values may be used to build a model of the chemical compound using the error or variance, where the compound is capable of exhibiting more than one value for the CCS value.[French]
Selon des modes de réalisation donnés à titre d'exemple, l'invention concerne des procédés, des supports et des systèmes permettant d'utiliser des propriétés moléculaires de composés chimiques pour quantifier une erreur ou une variation dans des prédictions de section transversale de collision. Par exemple, la prédiction CCS peut déterminer un emplacement de charge sur le composé, et les propriétés moléculaires (telles que la valeur de résidu normalisée de longueur ou le volume de Van der Waals du composé) peuvent être utilisées pour attribuer une valeur d'erreur à la prédiction. Ces valeurs d'erreur peuvent être utilisées pour construire un modèle du composé chimique à l'aide de l'erreur ou de la variance, le composé étant apte à présenter plus d'une valeur pour la valeur CCS.