Wednesday, July 30, 2025 7/30/2025

Virtual nanostructure simulation (VINAS) portal

Award Number: R01GM148743
ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)
PERIOD OF PERFORMANCE START DATE: 05/01/2023
PERIOD OF PERFORMANCE END DATE: 01/31/2027

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Virtual nanostructure simulation (VINAS) portal - The use of nanomaterials, especially Engineered Nanomaterials (ENMs), in consumer products and medicine has been skyrocketing over the past decade. Various in vitro and in vivo studies evaluating the potential environmental and health effects of ENMs have generated vast quantities of experimental data, requiring urgent curation for information extraction, analysis/modeling, and data/model sharing using artificial intelligence methods. Computational modeling methods, especially machine learning and deep learning approaches, bear high expectations to develop predictive models for ENMs based on the available property/activity/toxicity data. Currently ENMs databases do not consist of nanostructure annotations to store diverse structural information in machine readable formats that are critical for computational modeling studies. To address this challenge in the current big data era, we will develop a large, publicly available ENMs portal that contains annotated nanostructures of more than 3,000 ENMs suitable for the computational modeling research, which will lead to the rational nanomedicine design. The ongoing Nanotechnology Health Implication Research (NHIR) consortium is providing high quality ENMs data for the initial ENMs database of this portal and will also support future data curations. This database will be designed based on Virtual Nanostructure Simulation (VINAS) technique, which will annotate the complex nanostructures into machine readable formats that are suitable for the machine learning modeling purpose. To this end, we will develop various new computational approaches to annotate the nanostructures, especially for complex ENMs (e.g. graphene derivatives). After that, we will use new machine learning and deep learning algorithms, such as additive model and explainable AI guided semi- supervised deep learning technique, to develop predictive models using the ENMs data of the curated database as the proof of concept. For example, a virtual nanomaterial projection approach that is based on deep learning, particularly the explainable AI guided semi-supervised generative adversarial networks, will be especially adept at handling the annotated nanostructures. In the VINAS database web portal as the final deliverables, the curated ENMs- bioactivity/property/toxicity data and annotated nanostructures will be shared as downloadable files for public community to use. And the resulting new deep learning predictive models will be shared as well. This study provides a new public platform to future data-driven nanoinformatics modeling studies, especially those machine learning based approaches, and can greatly advance the rational nanomedicine design and other areas of modern nanoinformatics.


Issue Date FY	Funding FY	Legal Entity Name	Legal Entity Address	Legal Entity City	Legal Entity State	Legal Entity Zip Code	Legal Entity COUNTY	Legal Entity COUNTRY	Assistance Listing	Award Code	Budget Year	Action Date	Action Type	Action Amount

Issue Date FY: 2025 ( Subtotal = $268,394 )
2025	2025	THE ADMINISTRATORS OF TULANE EDUCATIONAL FUND	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	002	4	5/29/2025	NON-COMPETING CONTINUATION	$268,394
2025	2023	ROWAN UNIVERSITY	201 MULLICA HILL RD	GLASSBORO	NJ	08028	GLOUCESTER	USA	Biomedical Research and Research Training	000	1	2/12/2025	NEW	-$2
2025	2023	THE ADMINISTRATORS OF TULANE EDUCATIONAL FUND	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	001	2	2/12/2025	CHANGE OF GRANTEE / TRAINING INSTITUTION / AWARDING INSTITUTION	$2
														Subtotal = $268,394

Issue Date FY: 2024 ( Subtotal = $309,581 )
2024	2024	ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	004	3	3/12/2024	NON-COMPETING CONTINUATION	$253,682
2024	2024	ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	005	3	6/18/2024	NON-COMPETING CONTINUATION	$28,186
2024	2023	ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	002	2	3/4/2024	CHANGE OF GRANTEE / TRAINING INSTITUTION / AWARDING INSTITUTION	-$119,709
2024	2023	ROWAN UNIVERSITY	201 MULLICA HILL RD	GLASSBORO	NJ	08028	GLOUCESTER	USA	Biomedical Research and Research Training	000	1	2/27/2024	NEW	-$210,258
2024	2023	ROWAN UNIVERSITY	201 MULLICA HILL RD	GLASSBORO	NJ	08028	GLOUCESTER	USA	Biomedical Research and Research Training	003	1	3/5/2024	NEW	$97,903
2024	2023	ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE	6823 SAINT CHARLES AVE	NEW ORLEANS	LA	70118	ORLEANS	USA	Biomedical Research and Research Training	001	2	2/28/2024	CHANGE OF GRANTEE / TRAINING INSTITUTION / AWARDING INSTITUTION	$259,777
														Subtotal = $309,581

Issue Date FY: 2023 ( Subtotal = $281,278 )
2023	2023	ROWAN UNIVERSITY	201 MULLICA HILL RD RT 322	GLASSBORO	NJ	08028	GLOUCESTER	USA	Biomedical Research and Research Training	000	1	4/24/2023	NEW	$281,278
														Subtotal = $281,278

Grand Total All Awards = $859,253

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Virtual nanostructure simulation (VINAS) portal

Award Number: R01GM148743

ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

PERIOD OF PERFORMANCE START DATE: 05/01/2023

PERIOD OF PERFORMANCE END DATE: 01/31/2027

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