JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Scope & Guideline

Pioneering New Frontiers in Molecular Design and Screening

Introduction

Welcome to the JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN information hub, where our guidelines provide a wealth of knowledge about the journal’s focus and academic contributions. This page includes an extensive look at the aims and scope of JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, highlighting trending and emerging areas of study. We also examine declining topics to offer insight into academic interest shifts. Our curated list of highly cited topics and recent publications is part of our effort to guide scholars, using these guidelines to stay ahead in their research endeavors.
LanguageEnglish
ISSN0920-654x
PublisherSPRINGER
Support Open AccessNo
CountryNetherlands
TypeJournal
Convergefrom 1987 to 2024
AbbreviationJ COMPUT AID MOL DES / J. Comput.-Aided Mol. Des.
Frequency12 issues/year
Time To First Decision-
Time To Acceptance-
Acceptance Rate-
Home Page-
AddressVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS

Aims and Scopes

The JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN focuses on the integration of computational techniques with molecular design in the pharmaceutical and biochemical fields. The journal aims to advance the understanding of molecular interactions and enhance drug discovery processes through innovative methodologies and technologies.
  1. Computational Drug Design and Discovery:
    The journal emphasizes the use of computational approaches for drug design, including molecular docking, QSAR modeling, and virtual screening, to identify potential drug candidates and optimize their properties.
  2. Molecular Dynamics Simulations:
    A significant focus is placed on molecular dynamics simulations to study the behavior of biomolecules and their interactions with ligands, providing insights into stability, conformational changes, and binding affinities.
  3. Machine Learning and AI in Molecular Design:
    The incorporation of machine learning and artificial intelligence techniques is a prominent theme, aimed at enhancing predictive modeling, optimizing drug properties, and accelerating the drug discovery pipeline.
  4. Structure-Based and Ligand-Based Approaches:
    The journal covers both structure-based and ligand-based methodologies, facilitating a comprehensive understanding of molecular interactions and guiding the design of new compounds.
  5. Interdisciplinary Approaches:
    Encouraging interdisciplinary research, the journal integrates insights from chemistry, biology, and computational science to address complex challenges in molecular design and drug discovery.
Recent publications in the JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN reflect a dynamic shift towards innovative methodologies and emerging themes that resonate with current trends in molecular design and drug discovery.
  1. AI-Driven Drug Discovery:
    There is a significant increase in research focused on the application of artificial intelligence and machine learning in drug discovery, particularly in optimizing molecular properties and enhancing predictive accuracy.
  2. Integration of Quantum Mechanics with Molecular Simulations:
    Emerging studies are increasingly integrating quantum mechanical approaches with molecular dynamics simulations, offering deeper insights into molecular interactions and improving the accuracy of binding affinity predictions.
  3. High-Throughput Virtual Screening:
    The trend towards high-throughput virtual screening methods is gaining momentum, enabling the rapid assessment of large compound libraries and facilitating faster identification of potential drug candidates.
  4. Multi-Parameter Optimization in Drug Design:
    Recent papers highlight the growing importance of multi-parameter optimization frameworks that consider various physicochemical and biological properties simultaneously to streamline the drug design process.
  5. Data-Driven Approaches in Computational Chemistry:
    The use of data-driven methodologies, including deep learning and ensemble methods, is on the rise, showcasing their potential for improving the efficiency and accuracy of molecular modeling and predictions.

Declining or Waning

While the JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN has seen a robust focus on various computational methodologies, certain themes appear to be losing traction or becoming less prominent in recent publications.
  1. Traditional QSAR Models:
    Although quantitative structure-activity relationship (QSAR) modeling remains important, there is a noticeable decline in the emphasis on traditional QSAR techniques, likely due to the increasing adoption of machine learning methods that offer more sophisticated predictive capabilities.
  2. Basic Molecular Docking Techniques:
    The frequency of publications focusing solely on conventional molecular docking without incorporating advanced methodologies or machine learning enhancements has decreased, suggesting a shift towards more integrated and complex approaches.
  3. In Vitro Validation Studies:
    There seems to be a waning interest in standalone in vitro validation studies without a strong computational component, as the field increasingly values integrated computational-experimental workflows.
  4. Exploratory Data Analysis in Drug Discovery:
    While exploratory data analysis remains crucial, its standalone presence in publications has diminished, overshadowed by more focused studies employing advanced modeling and simulation techniques.

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