Related Experiment Video

Updated: Apr 18, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

2.1K

MMP-9i Predictor v1.0: an integrative machine learning platform for predicting MMP-9 inhibitors using chemical space

Indrasis Dasgupta1, Rupchand Pandit1, Lucia Sessa2

  • 1Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, 700032, India.

Journal of Computer-Aided Molecular Design
|April 16, 2026
PubMed
Abstract

No abstract available in PubMed .

Keywords:
Chemical spaceMMP-9Machine learningMatched molecular pairQSAR

More Related Videos

Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems
05:47

Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems

Published on: June 13, 2025

1.9K

Related Experiment Videos

Last Updated: Apr 18, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

2.1K
Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems
05:47

Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems

Published on: June 13, 2025

1.9K

Related Concept Videos

Mechanistic Models: Overview of Compartment Models01:21

Mechanistic Models: Overview of Compartment Models

549
Mechanistic models, a category encompassing both physiological and compartmental modeling, differ from empirical models' approaches to incorporating known factors about the systems being modeled. Empirical models describe data with minimal assumptions, while mechanistic models aim to provide a robust description of available data by specifying assumptions and integrating known factors about the system. Compartmental analysis is a key example of a mechanistic model in pharmacokinetics and...
549

Articles linked to this work by shared authors, journal, and citation graph.

Glofitamab in combination with immunochemotherapy in patients with relapsed/refractory B-cell non-Hodgkin lymphoma: Phase 1b dose-escalation study.

British journal of haematology·2026

Cellular therapy in mantle cell lymphoma: recommendations from the EBMT practice harmonisation and guidelines committee.

Bone marrow transplantation·2026

A Randomized Phase II Study of Subcutaneous Mosunetuzumab in Combination With Polatuzumab Vedotin Compared With Rituximab Plus Polatuzumab Vedotin in Patients With Relapsed or Refractory Large B-Cell Lymphoma.

American journal of hematology·2026

A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.

Journal of computer-aided molecular design·2026

Five-year survival outcomes from TRANSCEND NHL 001 of lisocabtagene maraleucel in R/R LBCL.

Blood·2026

An integrated machine learning and chemical space network approach for the design of potent epigenetic HDAC6 inhibitors for targeting neurological disorders.

Molecular diversity·2026

A survey of transformer and LLM-based architectures, workflows, and systems in drug discovery.

Journal of computer-aided molecular design·2026

Oxygenated 9H-carbazole-3-carbaldehyde scaffolds as cerebral cavernous malformation-relevant protein-protein interaction disruptors of the HEG1-KRIT1 interface.

Journal of computer-aided molecular design·2026

Targeting WEE1 kinase: an integrated machine learning-cheminformatics framework for ultra-large-scale virtual screening and novel inhibitor discovery.

Journal of computer-aided molecular design·2026

Chiral atom-centered scalar triple products for predicting enantiomer elution order in HPLC.

Journal of computer-aided molecular design·2026

Active ingredients and molecular targets of Tripterygium wilfordii against colorectal cancer: network pharmacology, molecular docking, molecular dynamics simulations and in vitro evaluation.

Journal of computer-aided molecular design·2026

Ganoderic acid D as a potential modulator of steroidogenic enzymes: Protective effects of Cucurbita maxima Duch. seed extract against nonylphenol-induced reproductive toxicity.

Journal of computer-aided molecular design·2026

Multimodal Deep Learning for Diabetic Retinopathy: A Survey.

Journal of ophthalmology·2026

Towards cross-center head and neck cancer detection: a multi-level domain alignment exploration.

Frontiers in artificial intelligence·2026

Federated spatio-temporal graph neural network for privacy-preserving vehicle trajectory prediction in autonomous driving.

Frontiers in artificial intelligence·2026

Breast tumor detection in ultrasound images using adaptive hierarchical pruning of non-tumor regions.

Cancer treatment and research communications·2026

ESCA-Net: Knowledge-Guided Encoder-Shared Classification and Auxiliary Segmentation Network for Multi-Label Catheter Malposition Assessment in Chest Radiographs.

IEEE journal of biomedical and health informatics·2026

Beyond ICD-10 Codes: A Multi-class Machine-Learning Approach to Identify True IBD Cases in Electronic Medical Records.

Digestive diseases and sciences·2026
See all related articles
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies
Jove
Visualize
Contact Us