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公开(公告)号:US20220009966A1
公开(公告)日:2022-01-13
申请号:US17487225
申请日:2021-09-28
Applicant: International Business Machines Corporation , Agency for Science, Technology and Research
Inventor: Payel Das , Flaviu Cipcigan , James L. Hedrick , Yi Yan Yang , Kahini Wadhawan , Inkit Padhi , Enara C Vijil , Pang Kern Jeremy Tan
IPC: C07K7/08
Abstract: De novo, artificial intelligence (AI) designed antimicrobial peptides (AMPs), antibacterial products comprising the AMPs and methods for treating bacterial infections using the products are provided. In one or more embodiments, the AMPs were designed using conditional latent attribute space sampling (CLaSS). The AMPs comprise up to twenty natural amino acids in length, including one with twelve and another with thirteen natural amino acids in length. The AMPs demonstrate low-toxicity and show high antimicrobial potency against diverse pathogens including multi-medication-resistant Gram negative Klebsiella pneumoniae.
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公开(公告)号:US11174289B1
公开(公告)日:2021-11-16
申请号:US16880280
申请日:2020-05-21
Applicant: International Business Machines Corporation , Agency for Science, Technology and Research
Inventor: Payel Das , Flaviu Cipcigan , James L. Hedrick , Yi Yan Yang , Kahini Wadhawan , Inkit Padhi , Enara C Vijil , Pang Kern Jeremy Tan
Abstract: De novo, artificial intelligence (AI) designed antimicrobial peptides (AMPs), antibacterial products comprising the AMPs and methods for treating bacterial infections using the products are provided. In one or more embodiments, the AMPs were designed using conditional latent attribute space sampling (CLaSS). The AMPs comprise up to twenty natural amino acids in length, including one with twelve and another with thirteen natural amino acids in length. The AMPs demonstrate low-toxicity and show high antimicrobial potency against diverse pathogens including multi-medication-resistant Gram negative Klebsiella pneumoniae.
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公开(公告)号:US12079730B2
公开(公告)日:2024-09-03
申请号:US16886160
申请日:2020-05-28
Applicant: International Business Machines Corporation
Inventor: Enara C Vijil , Payel Das , Inkit Padhi
Abstract: Techniques regarding generating molecular structures with attributes of interest are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise a transfer learning component that determines a molecular structure of a compound by employing a transfer learning process that utilizes lessons learned from an unconditional generative machine learning model to train a conditional machine learning model that regards a target attribute profile.
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公开(公告)号:US20210366580A1
公开(公告)日:2021-11-25
申请号:US16880021
申请日:2020-05-21
Applicant: International Business Machines Corporation
Inventor: Payel Das , Flaviu Cipcigan , Kahini Wadhawan , Inkit Padhi , Enara C Vijil , Pin-Yu Chen , Aleksandra Mojsilovic , Tom D.J. Sercu , Cicero Nogueira dos Santos
Abstract: Techniques for filtering artificial intelligence (AI)-designed molecules for laboratory testing provided. According to an embodiment, computer implemented method can comprise selecting, by a system operatively coupled to a processor, a first subset of AI-designed molecules from a set of AI-designed molecules as candidate pharmaceutical agents based on classification of the AI-designed molecules using one or more classifiers. The method further comprises selecting, by the system, a second subset of the candidate pharmaceutical agents for wet laboratory testing based on evaluation of molecular interactions between the candidate pharmaceutical agents and one or more biological targets using one or more computer simulations.
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公开(公告)号:US11645561B2
公开(公告)日:2023-05-09
申请号:US16356315
申请日:2019-03-18
Applicant: International Business Machines Corporation
Inventor: Abhijit Mishra , Enara C Vijil , Seema Nagar , Kuntal Dey
IPC: G06F16/31 , G06N5/043 , G06N3/049 , G06F17/18 , G06F16/383 , G06F3/01 , G06F16/332
CPC classification number: G06N5/043 , G06F3/013 , G06F16/313 , G06F16/3329 , G06F16/383 , G06F17/18 , G06N3/049
Abstract: Provided are systems, methods, and media for handling dialogs based on user behavior data. An example method includes receiving an input paragraph having one or more factual sentences, in which each of the one or more factual sentences includes one or more words. Receiving an input question comprising one or more words. Performing word-level gaze prediction on the input paragraph to identify one or more predicted gaze attributes for the input paragraph. Extracting an answer to the input question based, at least in part, on the input paragraph, the input question, and the one or more predicted gaze attributes of the input paragraph. Transmitting the extracted answer.
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公开(公告)号:US20210374551A1
公开(公告)日:2021-12-02
申请号:US16886160
申请日:2020-05-28
Applicant: International Business Machines Corporation
Inventor: Enara C Vijil , Payel Das , Inkit Padhi
Abstract: Techniques regarding generating molecular structures with attributes of interest are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise a transfer learning component that determines a molecular structure of a compound by employing a transfer learning process that utilizes lessons learned from an unconditional generative machine learning model to train a conditional machine learning model that regards a target attribute profile.
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公开(公告)号:US20210363183A1
公开(公告)日:2021-11-25
申请号:US16880280
申请日:2020-05-21
Applicant: International Business Machines Corporation , Agency for Science, Technology and Research
Inventor: Payel Das , Flaviu Cipcigan , James L. Hedrick , Yi Yan Yang , Kahini Wadhawan , Inkit Padhi , Enara C Vijil , Pang Kern Jeremy Tan
IPC: C07K7/08
Abstract: De novo, artificial intelligence (AI) designed antimicrobial peptides (AMPs), antibacterial products comprising the AMPs and methods for treating bacterial infections using the products are provided. In one or more embodiments, the AMPs were designed using conditional latent attribute space sampling (CLaSS). The AMPs comprise up to twenty natural amino acids in length, including one with twelve and another with thirteen natural amino acids in length. The AMPs demonstrate low-toxicity and show high antimicrobial potency against diverse pathogens including multi-medication-resistant Gram negative Klebsiella pneumoniae.
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公开(公告)号:US11093217B2
公开(公告)日:2021-08-17
申请号:US16701463
申请日:2019-12-03
Applicant: International Business Machines Corporation
Inventor: Abhijit Mishra , Enara C Vijil , Seema Nagar , Kuntal Dey
Abstract: In an approach to generating HTML based on a plurality of content and design controls, one or more computer processors crawl one or more conforming websites. The one or more computer processors create a training set of crawled conforming webpages, wherein each crawled conforming webpage in the training set of crawled conforming webpages includes associated web code labeled a combination of respective one or more content controls and respective one or more design controls; encode the combination of the respective one or more design controls and the respective one or more content controls based on one or more user preferences utilizing a created design encoder and a created content encoder; create a decoder with the training set of crawled conforming webpages and associated encoded content and design vectors; generate web code based on the encoded design and content controls utilizing the created decoder; implement generated web code.
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