Deargen Announces New Model for Optimizing Drug Candidate Molecules With Nearly Doubled Performance Compared to Existing Models

Deargen | April 12, 2021

Deargen, a drug research and development biotech company based on artificial intelligence (AI), announced on April 9 that it presented study results on controlled molecule generator (CMG) technology at the ACM Conference on Health, Inference, and Learning (ACM CHIL) 2021. CMG technology can modify many properties of molecules at the same time.

The Association for Computing Machinery (ACM), based in New York, is one of the world's most prominent academic organizations. The ACM was founded in 1947 and now has over 100,000 members worldwide. The ACM Conference on Health, Inference, and Learning 2021 was held online on April 8th as a healthcare conference.

Deargen's latest CMG technology overcomes the limitations of current models for predicting molecule properties. Deargen's test results revealed that the new CMG method enhances efficiency by nearly doubling as compared to existing versions such as MolDQN and VJTNN.

Deargen tried to improve aniracetam, which has the lowest binding affinity of dopamine D2-type receptor (DRD2) among 28 DRD2-targeted compounds in clinical or pre-clinical trials, in the most recent report. The study discovered that aniracetam's DRD2 binding affinity was highly enhanced while its other properties remained relatively unchanged.

The technology of optimizing properties of candidate molecules in the process of developing new drugs, such as efficacy, toxicity, and structural similarity, is positioning itself as a key strategy for reducing costs and time required for drug development.

Models that predict properties of previously proposed molecules, such as MolDQN, VJTNN, and VSeq2Seq, are considered to have limitations when used to produce new drugs because they either alter properties of molecules that must be retained by optimizing only one property or take very long to process data.

Deargen's CMG model, on the other hand, will optimize only desired properties while minimizing changes in other properties that are meant to be retained as set by molecule design as it can consider multiple properties at the same time. Since it takes less time to examine, it can be directly applied to the development of new drugs.

“Not only is our representative technology, MT-DTI, being used for discovering various new substances, including treatment prediction for COVID-19, but we are also poised to provide more advanced new drug development services by developing an ensemble of CMG models with our other platform MolEQ,” said Bonggeun Shin, Deargen's Chief Artificial Intelligence Officer.

Deargen President Kilsoo Kang said, "Deargen has accomplished drug development technologies on a global level and continues to invest in advancing these technologies and extending their support range." “The most recent technological advancement will provide an important momentum in the development of AI-powered new drugs.”


Microbial Systems Biologist Dion Antonopoulos discusses the role of microbes in human and environmental systems and how microbial applications might improve health. Microbial Systems Biologist Dion Antonopoulos discusses the role of microbes in human and environmental systems and how microbial applications might .


Microbial Systems Biologist Dion Antonopoulos discusses the role of microbes in human and environmental systems and how microbial applications might improve health. Microbial Systems Biologist Dion Antonopoulos discusses the role of microbes in human and environmental systems and how microbial applications might .

Related News


CellCarta expands it proteomics portfolio with the acquisition of next-generation immuno-MRM assays from Precision Assays

CellCarta | May 23, 2022

CellCarta, a leading global provider of precision medicine laboratory services, announced today the acquisition of the commercial rights to the antibody panels and assays from Precision Assays, a leader in next-generation targeted proteomics testing solutions. A spin-off from Fred Hutchinson Cancer Center ("Fred Hutch"), Precision Assays develops and deploys high-end multiplex quantitative immuno-MRM mass spectrophotometry-based assays for its pharmaceutical and biotech industry clients. The acquisition from Precision Assays of its large spectrum of targeted mass spectrometry assays characterized according to the National Cancer Institute's Clinical Proteomic Tumor Analysis Consortium (CPTAC) Tier 2 guidelines greatly expands CellCarta's capabilities in off-the-shelf multiplex protein quantification offerings ready for deployment in immuno-oncology clinical and pre-clinical studies. Precision Assays' large portfolio of robust assays characterized according to CPTAC guidelines and its established proof of concept data will enable CellCarta to confidently support its clients' exploratory studies and therapeutic development strategies, offering them key solutions to address important clinical challenges and move their immuno-oncology programs forward. Given CellCarta's expertise in protein quantitation, these immuno-MRM panels can further be validated to support secondary and primary clinical endpoints." Lorella Di Donato, Chief Operating Officer of CellCarta, Immunology and Proteomics Divisions. Based on technology licensed from Fred Hutch, Precision Assays' platform is uniquely positioned to fully capture the unique advantages of multiplex protein quantification using targeted mass spectrometry. Founder Dr. Amanda Paulovich, a professor in the Clinical Research Division at Fred Hutch who holds the Aven Foundation Endowed Chair, is an internationally recognized pioneer in targeted mass spectrometry and a clinically trained oncologist. Dr. Paulovich has set best-in-class standards to support precision medicine studies in cancer-specific protein expression analysis in a variety of matrices from FFPE cancer tissue biopsies to clinical serum-based samples. Precision Assays is one of the few CROs to offer large and immuno-oncology relevant multiplex off-the-shelf panels and is at the forefront of targeted-mass spec proteomics-based research. As a global CRO with expertise in targeted mass spectrometry and specializing in biomarker testing to support precision medicine, CellCarta is an ideal partner to deploy and industrialize our platform to support discovery, translational and clinical research, especially in precision medicine and immuno-oncology." Paulovich About CellCarta CellCarta is a leading provider of specialized precision medicine laboratory services to the biopharmaceutical industry. Leveraging its integrated analytical platforms in immunology, histopathology, proteomics and genomics, as well as related specimen collection and logistics services, CellCarta supports the entire drug development cycle, from discovery to late-stage clinical trials. The company operates globally with 11 facilities located in Canada, USA, Belgium, Australia, and China.

Read More

BioLineRx Announces Positive Results from a Planned Interim Analysis of the Ongoing GENESIS Phase 3 Trial of Motixafortide for Stem Cell Mobilization

BioLineRx | October 30, 2020

BioLineRx Ltd. (NASDAQ: BLRX) (TASE: BLRX), a clinical-stage biopharmaceutical company focused on oncology, today announced positive results from a planned interim analysis of the ongoing GENESIS Phase 3 trial of motixafortide for stem cell mobilization (SCM) in multiple myeloma patients. At a meeting of the study's independent Data Monitoring Committee (DMC), a planned interim analysis of the study's primary endpoint was conducted independently by the DMC. Based on the statistically significant evidence favoring treatment with motixafortide, the DMC issued a recommendation to the Company that patient enrollment may be ceased immediately, without the need to recruit all 177 patients originally planned for the study. In accordance with the DMC's recommendation, study enrollment is now complete at 122 patients. Full results for the study, including secondary and exploratory efficacy endpoints, as well as extended safety data, will be announced after the last patient enrolled reaches 100 days of follow-up post-transplantation, which is expected to occur in the first half of 2021.

Read More

INOVIO Reports FDA Partial Clinical Hold for Planned Phase 2 / 3 Trial of COVID-19 Vaccine Candidate INO-4800

INOVIO | September 28, 2020

INOVIO (NASDAQ:INO), a biotechnology company focused on bringing to market precisely designed DNA medicines to treat and protect people from infectious diseases and cancer, announced that the U.S. Food and Drug Administration (FDA) has notified the company it has additional questions about the company's planned Phase 2/3 trial of its COVID-19 vaccine candidate INO-4800, including its CELLECTRA® 2000 delivery device to be used in the trial. Until the FDA's questions have been satisfactorily addressed, INOVIO's Investigational New Drug Application (IND) for the Phase 2/3 trial is on partial clinical hold. The company is actively working to address the FDA's questions and plans to respond in October, after which the FDA will have up to 30 days to notify INOVIO of its decision as to whether the trial may proceed. This partial clinical hold is not due to the occurrence of any adverse events related to INOVIO's ongoing expanded Phase 1 study of INO-4800, the conduct of which may continue and is not impacted by the FDA's notification. In addition, this partial clinical hold does not impact the advancement of INOVIO's other product candidates in development. INOVIO and its partners are continuing to prepare for a planned Phase 2/3 trial of INO-4800, following resolution of the FDA's partial clinical hold and subject to the receipt of external funding to conduct the trial.

Read More