System and method for automated retrosynthesis

    公开(公告)号:US11354582B1

    公开(公告)日:2022-06-07

    申请号:US17540142

    申请日:2021-12-01

    申请人: Ro5 Inc.

    摘要: A system and method for automated retrosynthesis which can reliably identify valid and practical precursors and reaction pathways. The methodology involves a k-beam recursive process wherein at each stage of recursion, retrosynthesis is performed using a library of molecule disconnection rules to identify possible precursor sets, validation of the top k precursor sets is performed using a transformer-based forward reaction prediction scoring system, the best candidate of the top k precursor sets is selected, and a database is searched to determine whether the precursors are commercially available. The recursion process is repeated until a valid chain of chemical reactions is found wherein all precursors necessary to synthesize the target molecule are found to be commercially available.

    Systems and methods for generating 3D-representation of tooth-specific appliance

    公开(公告)号:US11273008B2

    公开(公告)日:2022-03-15

    申请号:US16703375

    申请日:2019-12-04

    申请人: Oxilio Ltd

    摘要: A methods and processors for generating a 3D-representation of a tooth-specific dental appliance are disclosed. The appliance has a grooved body and a pair of holding arms. The method includes acquiring a 3D-platform representation, acquiring a 3D-grooved body representation, and positioning the 3D-grooved body representation relative to the 3D-platform representation. The method also includes acquiring a first and second 3D-arm representations, each having a respective pair of platform anchor points and a respective adjustment anchor point. The method also includes individually positioning the first and second 3D-arm representations relative to the 3D-platform representation using the respective pairs of platform anchor points, thereby defining preliminary positions of the first and second 3D-arm representations. The method includes individually adjusting the respective preliminary positions relative to the 3D-grooved body representation using the respective adjustment anchor points, thereby defining adjusted positions of the first and second 3D-arm representations.

    Risk evaluation and management strategy involving patient follow-ups relating to the use or discontinuation of a complement inhibitor

    公开(公告)号:US11031102B2

    公开(公告)日:2021-06-08

    申请号:US14941080

    申请日:2015-11-13

    摘要: This invention provides, inter alia, a complement-inhibitor-based treatment plan coupled with a risk evaluation and management strategy (“REMS”) and a safety support program (“SSP”) for reinforcing the REMS. The REMS and SPP are implemented using one or more computer devices with software tools programmed to enforce conditions of the REMS and/or prompt follow-ups by registered nurses enrolled in the SSP. The software tool(s) determines whether a prescriber requesting the complement inhibitor has agreed to abide by the REMS, and can prompt a provider of the complement inhibitor to provide updated educational materials to the prescriber at predetermined times or intervals, to monitor the prescriber for compliance with the REMS, and/or to monitor patients for signs of adverse events. Using exemplary embodiments described herein, a risk of adverse events (especially, but not limited to, meningococcal infections) can be managed and an incidence of the adverse events can be reduced.

    Methods and systems for detecting minor variants in a sample of genetic material

    公开(公告)号:US10910086B2

    公开(公告)日:2021-02-02

    申请号:US15504299

    申请日:2015-08-14

    摘要: A computer-implemented method for determining minor variants. The method includes receiving electropherogram sequence data from a test sample, identifying any non-primary peaks in the electropherogram, and characterizing identified non-primary peaks using at least one signal feature. The method may further include analyzing the at least one signal feature across identified non-primary peaks to identify variant candidates, evaluating at least one peak characteristic of each of the identified variant candidates, and classifying variant candidates as bona fide variants based on the evaluation of peak characteristics.

    Hemolysis detection method and system

    公开(公告)号:US10809246B2

    公开(公告)日:2020-10-20

    申请号:US15305356

    申请日:2014-05-23

    发明人: Michael Cafferty

    摘要: A hemolysis detection method and system includes measuring a conductance of a blood sample in a sample test module at a plurality of multiple-frequency AC inputs provided by a sine-wave generator module, calculating an immittance value for each of the plurality of multiple-frequency AC inputs received from a multichannel A/D converter module using a computer processing module, and subjecting each immittance value calculated to a function that maps immittance values to either lysed blood levels or hematocrit levels residing in the processing module and applying further processing residing in a memory module to produce respective percent-lysed value or hematocrit value of the blood sample.

    Mass spectrometric data analyzing apparatus and analyzing method

    公开(公告)号:US10796784B2

    公开(公告)日:2020-10-06

    申请号:US14471825

    申请日:2014-08-28

    发明人: Jingwen Yao

    摘要: A tag database establishment section converts, based on information such as an amino acid sequence of an identified peptide and m/z of a peak, a sequence tag indicating a partial sequence and information related to the tag into a database and creates a tag database. When MS2 spectrum information is obtained by measuring a target peptide, a sequence tag acquisition section executes, on the tag database, a search based on coincidence of the m/z of the peak and the like and extracts a sequence tag with high reliability. A peptide identification section performs, based on an amino acid sequence of the sequence tag, m/z of a precursor ion, and the like, a search by a sequence tag search method taking into account a post-translational modification or a variation and identifies a peptide.