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ChemRN: Chemoinformatics (Topic)

317 Total downloads

Viewing: 1 - 50 of 104 papers

1.

In Silico Structure-Based Identification and Analysis of Viral Protease Inhibitors Targeting Chikungunya Virus Replication

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Number of pages: 1 Posted: 10 Feb 2020
Working Paper Series
Indian Institute of Technology (IIT), Roorkee - Department of Biotechnology, affiliation not provided to SSRN and Indian Institute of Technology (IIT), Roorkee - Department of Biotechnology
Downloads 57
2.

Machine Learning-Based Prediction Model of Drug-Drug Interactions for Histamine Antagonist Using Hybrid Chemical Features

Number of pages: 29 Posted: 06 Jul 2021
Working Paper Series
University of Medicine and Pharmacy at Ho Chi Minh City, Da Nang General Hospital, University of Amsterdam - University Medical Center, Taipei Medical University, Cai Lay Regional General Hospital, Taipei Medical University, Taipei Medical University, Hanoi Medical University, Cho Ray Hospital, Taipei Medical University and Taipei Medical University - College of Medicine
Downloads 40
3.

A Structural Bioinformatics Study of Calcium Dependent Protein Kinase 6 (CDPK6) of Cryptosporidium Parvum for Identification of Novel Therapeutics

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Number of pages: 2 Posted: 07 Feb 2020 Last Revised: 10 Feb 2020
Working Paper Series
KIIT DEEMED TO BE UNIVERSITY, KIIT DEEMED TO BE UNIVERSITY and KIIT DEEMED TO BE UNIVERSITY
Downloads 35
4.

Search for Natural Alkaloids As SARS-CoV-2 Proteas and RdRp Inhibitors: A Docking-Based Study

Number of pages: 8 Posted: 27 Oct 2020
Working Paper Series
Maulana Abul Kalam Azad University of Technology and Malancha Shishu Shiksha Niketan
Downloads 35
5.

Predicting Safety Information of Drugs Using Data Mining Technique

International Journal of Computer Engineering and Technology, 10(2), 2019, pp. 83-90
Number of pages: 8 Posted: 13 Mar 2020
Accepted Paper Series
Department of Computer Science, Sri Ramakrishna College of Arts and Science for Women, Coimbatore, India and Department of Computer Science, Sri Ramakrishna College of Arts and Science for Women, Coimbatore
Downloads 31
6.

Discovery Of Novel Sulphamidopyrimidine Derivatives As Novel Brd4 And Cox2 Inhibitors In Cancer And Inflammation – Synthesis, Structure – Activity Relationship And In-Vitro Efficacy

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Number of pages: 1 Posted: 05 Feb 2020 Last Revised: 09 Feb 2020
Working Paper Series
ABMRCP, ABMRCP and Acharya & BM Reddy College of Pharmacy
Downloads 23
7.

Long-Range Regulation Of Neurodegenerative Self-Assembly In Partially Folded Amyloid-Forming Helical Peptides (Poster)

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Number of pages: 1 Posted: 20 Feb 2020
Working Paper Series
University of Limerick, University of Limerick and University of Limerick
Downloads 22
8.

Cheminformatics Tools for Analyzing and Designing Optimized Small Molecule Collections and Libraries

Number of pages: 45 Posted: 30 May 2019
Working Paper Series
Harvard University - Department of Systems Biology, University of Cincinnati - Division of Biostatistics and Bioinformatics, Harvard University - Department of Systems Biology, Novartis Institutes for Biomedical Research, Novartis Institutes for Biomedical Research, University of Cincinnati - Division of Biostatistics and Bioinformatics, Dana-Farber Cancer Institute - Department of Cancer Biology, Dana-Farber/Harvard Cancer Center - Department of Cancer Biology, Novartis Institutes for Biomedical Research and Harvard University - Department of Systems Biology
Downloads 18
9.

Amino Acid Assisted Chemical Catalytic Computing Device

Science Direct Working Paper No S1574-0331(04)70002-8
Number of pages: 7 Posted: 02 Jun 2017 Last Revised: 09 Nov 2020
Working Paper Series
Hoffmann-La Roche, Inc.
Downloads 16
10.

Drug Repurposing Screen on Patient-Derived Organoids Identifies New Therapeutic Drug Combination Against KRAS Mutant Colon Cancer

Number of pages: 42 Posted: 17 Mar 2021
Working Paper Series
Utrecht University - Oncode Institute, Utrecht University - Oncode Institute, Utrecht University - Oncode Institute, affiliation not provided to SSRN, Utrecht University - Oncode Institute, Utrecht University - Oncode Institute, Foundation Hubrecht Organoid Technology (HUB), Netherlands Cancer Institute - Mouse Clinic for Cancer and Aging (MCCA), Netherlands Cancer Institute - Division of Pharmacology, Netherlands Cancer Institute - Mouse Clinic for Cancer and Aging (MCCA), University Medical Center (Utrecht) - Department of Medical Oncology, Foundation Hubrecht Organoid Technology (HUB), University Medical Center, Utrecht - Hubrecht Institute, Utrecht University - Oncode Institute, Utrecht University - Oncode Institute and Utrecht University - Oncode Institute
Downloads 16
11.

How Chemistry Computes: Language Recognition by Non-Biochemical Chemical Automata

Number of pages: 60 Posted: 07 May 2019
Working Paper Series
Repsol Technology Center and Harvard University - Department of Earth and Planetary Sciences
Downloads 11
12.

Towards the Second Edition of the Book “QSAR-Mapping and SBGN-Mapping for Biological Samples (Lecture Course and Special Practicum)”

Number of pages: 13 Posted: 02 Oct 2019
Working Paper Series
Semenov Institute of Chemical Physics
Downloads 8
13.

Fast Computation of Cross-Validated Properties in Full Linear Leave-Many-Out Procedures

Science Direct Working Paper No S1574-0331(04)70421-X
Number of pages: 21 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
University of Girona
Downloads 5
14.

Antifungal Evaluation and Docking Studies of Some Urea Tethered-1,2, 3-Triazoles

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020
Working Paper Series
Department of chemistry, Guru Jambheshwar university of science technology
15.

Artificial Intelligence in New Drug Discovery

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 06 Feb 2020
Working Paper Series
Institute of Post Graduate Medical Education and Research
16.

Auto QSAR - a Fast Approach for the Creation and Application of QSAR Models Through Automation

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Dr. Babasaheb Ambedkar Marathwada University, Independent, Dr. Babasaheb Ambedkar Marathwada University and Dr. Babasaheb Ambedkar Marathwada University
17.

Benzimidazo[1,2-A]quinoxaline Based Library Synthesis and NCI60 Screening to Identify New Heterocyclic Scaffolds Having Anticancer Activity

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 14 Feb 2020
Working Paper Series
Independent and Panjab University
18.

Binding Interactions of Je-2147 (Normal vs Methylated) to HIV-1 Protease: A Molecular Dynamics Simulation Study for Drug Design Strategy.

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 05 Feb 2020
Working Paper Series
BERHAMPUR UNIVERSITY, BERHAMPUR UNIVERSITY and Berhampur University
19.

Catechol Based Urease Inhibitors as Potential Candidates to Treat Helicobacter Pylori Infection: An In-Silico Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
CV Raman College of Engineering, Rajendra College, APS College, Sambalpur University and Gangadhar Meher University
20.

Characterization of Protein-Protein and Protein-Peptide Interactions: Implication for Biologics Design

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 05 Feb 2020
Working Paper Series
Central University of South Bihar
21.

Computational Investigations on Reversal Effect of Acetogenins on Multidrug Resistance Mediated by ABCB1

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
PSG COLLEGE OF TECHNOLOGY, PSG COLLEGE OF TECHNOLOGY, PSG College of Technology and PSG College of Pharmacy
22.

Computational Screening and Validation of Suitable Natural Compounds Against Peripheral Metabolism of L-Dopa: An Alternative Approach Towards Treatment of Parkinson’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
Odisha University of Agriculture and Technology - Department of Bioinformatics and Ravenshaw University - School of Life Sciences
23.

Computational Study Targeting β Amyloid Protein for the Design and Development of Alzheimer Drugs

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Faculty of Pharmacy, Dr.M.G.R Educational and Research Institute, Velappanchavadi, Chennai-600077. and Dr.N.Harikrishnan
24.

Conserved Glycoprotein Sequence Recognition for Modelling of Antiretroviral Drug Candidates

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
University of Rajasthan and University of Rajasthan
25.

Crystal Structures of Nucleoside Di Phosphate Kinase From Acinetobacter Baumannii and Pseudomonas Aeruginosa

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 14 Feb 2020
Working Paper Series
All India Institute of Medical Sciences (AIIMS), Independent, Independent, Independent and Independent
26.

Data Mining and Pathway Analysis of Drugs Using Different Tools in the Context of Rare Diseases

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Birla Institute of Technology, Mesra
27.

Design and Development of Dengue NS5 Methyltransferase Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
BIT Mesra, BIT Mesra, BIT Mesra and Department of Pharm. Sci & Tech.
28.

Design and Development of Dengue Protease Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020 Last Revised: 02 Mar 2020
Working Paper Series
Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology, BIT Mesra, Department of Pharm. Sci & Tech., Independent and Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology
29.

Design and Development of Tetraoxane Conjugated Mannich Bases for Malaria-An In Silico Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 30 Jan 2020
Working Paper Series
Amrita School Of Pharmacy and Amrita School of Pharmacy

Multiple version iconThere are 2 versions of this paper

30.

Design of Focused Library of C-Di-GMP Analogues Based on 3-D Shape Similarity, Structural Diversity and Drug Likeness

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 06 Feb 2020
Working Paper Series
Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Ambernath Organics and Bombay College of Pharmacy
31.

Design of Potent HDAC Inhibitors: Pharmacophore, Fingerprint Based 2D-QSAR, Atom-Based 3D-QSAR, and Molecular Docking Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Independent and Independent
32.

Design, Molecular Docking, ADME/T and Molecular Dynamics Simulation Studies of Huperzine A Analogues: Virtual Identification of NMDA Receptor Antagonists

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 30 Jan 2020
Working Paper Series
Independent
33.

Design, Synthesis and Molecular Docking Simulation of a New Series of Triheterocyclic Derivatives As Effective Inhibitors of Antibacterial Target Escherichia Coli FabH

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
affiliation not provided to SSRN, Mangalore University, Mangalore University and Mangalore University
34.

Design, Synthesis and Pharmacological Investigation of Novel 2-Phenazinamine Derivatives as a Mutant BCR-ABL (T315I) Inhibitor

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Rajarshi Shahu College of Pharmacy, Buldhana
35.

Designing Potent Inhibitors for Survivin Protein

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
The Red-Green Research Centre, The Red-Green Research Centre, The Red-Green Research Centre, University of the Ryukyus - Department of Bioscience and Biotechnology and The Red-Green Research Centre
36.

Development of Potential Anticancer Agents Using Pharmacophore Optimization of Curcumin Analogues

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020
Working Paper Series
Independent
37.

Discovery of Novel Small-Molecule Tyrosine Kinase Inhibitors of Egfr and Her-2 by Ligand Based Virtual Screening.

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Acharya & BM Reddy College of Pharmacy, Acharya & BM Reddy College of Pharmacy and Acharya & BM Reddy College of Pharmacy
38.

Discovery of Prospective CDK4 Inhibitor Molecules Through Virtual Screening Augmented by Molecular Docking and In Vitro Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 03 Feb 2020
Working Paper Series
Milad-E-Sherief Memorial Colllege and Milad-E-Sherief Memorial College
39.

Discriminations of Actives from Inactives HDAC8 Inhibitors: Molecular Modeling Study to Explore Essential Molecular Fingerprints

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Jadavpur University, Kolkata, Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University - Department of Pharmaceutical Technology and Jadavpur University - Department of Pharmaceutical Technology
40.

Evaluating the Role of Diverse Substitutions on Nitrogen-Containing Heterocyclic Scaffold Based on CADD and Biological Studies for Alzheimer’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
K. M. Kundnani College of Pharmacy, K. M. Kundnani College of Pharmacy and Prin K M kundnani College of Pharmacy
41.

Exploration of Phytocompounds as Potential Anti-Dengue Agents Against Denv Ns2b-Ns3 Protease: Structure-Based Virtual Screening and Md Simulation Studies.

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 05 Feb 2020
Working Paper Series
BERHAMPUR UNIVERSITY, BERHAMPUR UNIVERSITY and Berhampur University
42.

Exploring Structural Requirements of Diarylurea Derivatives as VEGFR-2 Inhibitors Through Comparative QSAR Modeling Study

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University, Kolkata and Jadavpur University - Department of Pharmaceutical Technology
43.

Exploring the Druggablity of Novel Small Molecules that Targets TFF3, Hyaluronidase, and Jak-Stat3 Pathway in in Vivo Cancer and Functional Remyelination Models

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
University of Mysore
44.

Identification and Analysis of Potential Core Genes, Novel Drug Targets and Significant Neighbouring Pathways Associated With Development of Type 2 Diabetes

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020
Working Paper Series
Sir M Visvesvaraya Institute of Technology, sir M Vivesvaraya institute of technology, Sir M Visvesvaraya Institute Of Technology, Sir M Visvesvaraya Institute of Technology and Sir M Visvesvaraya Institute of Technology
45.

Identification and Validation of Novel Inhibitor Against Chorismate Synthase of Toxoplasma Gondii

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020 Last Revised: 20 Feb 2020
Working Paper Series
University of Hyderabad and University of Hyderabad
46.

Identification of Multitargeted Phytochemicals From Carica Papaya Leaves Against Breast Cancer via Molecular Docking Studies: An In Silico Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 06 Feb 2020
Working Paper Series
Annamalai University and Annamalai University
47.

Identification of Novel Potential Therapeutics Against Human PHD3 as a Drug Target for Type 2 Diabetes Mellitus

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Dept. of Chemistry, Nizam College, Osmania University, Dept. of Chemistry, Nizam College, Osmania University, Dept. of Chemistry, Nizam College, Osmania University and Nizam College Osmania University
48.

Identification of Potential Compounds Against Leishmaniasis Targeting the Small Subunit of Leishmania Donovani Nuclear DNA Primase through Ligand Based Virtual Screening and Simulation Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 07 Feb 2020
Working Paper Series
Assam University and Assam University
49.

Identification of Probable Plant-based Oral Contraceptives from Cissampelos Pareira using Virtual Screening and Molecular Dynamics Simulation Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 05 Feb 2020
Working Paper Series
Independent, Independent, Independent, Independent and Independent
50.

Identifying the Role of Quercetin Against Infectious Diarrhoea Caused by Different Pathogenic Strains of Escherichia Coli Using in Silico Method

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020
Working Paper Series
Rashtrasant Tukdoji Maharaj Nagpur University - University Department of Pharmaceutical Sciences, Mohanlal Sukhadia (MLS) University, University Department of Pharmaceutical Sciences and Rashtrasant Tukdoji Maharaj Nagpur University - University Department of Pharmaceutical Sciences