The Evaluation Of Molecular Similarity And Molecular Diversity Methods Using Biological Activity Data

This paper reviews the techniques available for quantifying the effectiveness of methods for molecule similarity and molecular diversity, focusing in particular on similarity searching and on compound selection procedures. The evaluation criteria considered are based on biological activity data, both qualitative and quantitative, with rather different criteria needing to be used depending on the type of data available

An Integrated Approach for Characterizing Aerosol Climate Impacts and Environmental Interactions

Aerosols exert myriad influences on the earth's environment and climate, and on human health. The complexity of aerosol-related processes requires that information gathered to improve our understanding of climate change must originate from multiple sources, and that effective strategies for data integration need to be established. While a vast array of observed and modeled data are becoming available, the aerosol research community currently lacks the necessary tools and infrastructure to reap maximum scientific benefit from these data. Spatial and temporal sampling differences among a diverse set of sensors, nonuniform data qualities, aerosol mesoscale variabilities, and difficulties in separating cloud effects are some of the challenges that need to be addressed. Maximizing the long-term benefit from these data also requires maintaining consistently well-understood accuracies as measurement approaches evolve and improve. Achieving a comprehensive understanding of how aerosol physical, chemical, and radiative processes impact the earth system can be achieved only through a multidisciplinary, inter-agency, and international initiative capable of dealing with these issues. A systematic approach, capitalizing on modern measurement and modeling techniques, geospatial statistics methodologies, and high-performance information technologies, can provide the necessary machinery to support this objective. We outline a framework for integrating and interpreting observations and models, and establishing an accurate, consistent, and cohesive long-term record, following a strategy whereby information and tools of progressively greater sophistication are incorporated as problems of increasing complexity are tackled. This concept is named the Progressive Aerosol Retrieval and Assimilation Global Observing Network (PARAGON). To encompass the breadth of the effort required, we present a set of recommendations dealing with data interoperability; measurement and model integration; multisensor synergy; data summarization and mining; model evaluation; calibration and validation; augmentation of surface and in situ measurements; advances in passive and active remote sensing; and design of satellite missions. Without an initiative of this nature, the scientific and policy communities will continue to struggle with understanding the quantitative impact of complex aerosol processes on regional and global climate change and air quality

Natural language processing

Beginning with the basic issues of NLP, this chapter aims to chart the major research activities in this area since the last ARIST Chapter in 1996 (Haas, 1996), including: (i) natural language text processing systems - text summarization, information extraction, information retrieval, etc., including domain-specific applications; (ii) natural language interfaces; (iii) NLP in the context of www and digital libraries ; and (iv) evaluation of NLP systems

Comparing human and automatic thesaurus mapping approaches in the agricultural domain

Knowledge organization systems (KOS), like thesauri and other controlled vocabularies, are used to provide subject access to information systems across the web. Due to the heterogeneity of these systems, mapping between vocabularies becomes crucial for retrieving relevant information. However, mapping thesauri is a laborious task, and thus big efforts are being made to automate the mapping process. This paper examines two mapping approaches involving the agricultural thesaurus AGROVOC, one machine-created and one human created. We are addressing the basic question "What are the pros and cons of human and automatic mapping and how can they complement each other?" By pointing out the difficulties in specific cases or groups of cases and grouping the sample into simple and difficult types of mappings, we show the limitations of current automatic methods and come up with some basic recommendations on what approach to use when.Comment: 10 pages, Int'l Conf. on Dublin Core and Metadata Applications 200

Special Libraries, December 1964

Volume 55, Issue 10https://scholarworks.sjsu.edu/sla_sl_1964/1009/thumbnail.jp

Special Libraries, December 1964

Volume 55, Issue 10https://scholarworks.sjsu.edu/sla_sl_1964/1009/thumbnail.jp

The Unbearable Lightness of Data: Touloukian’s Quest and Why It Still Matters

Essay on the difficulty of locating published scientific data, and how this was addressed by Y.S. Touloukian and his index titled "Thermophysical Properties Research Literature Retrieval Guide," with a description thereof.UT Librarie

Acceleration of the retrieval of past experiences in Case Based Reasoning : application for preliminary design in Chemical Engineering

The way to manage knowledge accumulated is one of the firm’s trends, in order to capitalize and to transmit this knowledge. Some Artificial Intelligence methods are devoted to preserve and to reuse past experiences. Case Based Reasoning (CBR) is one of these methods dedicated to problem solving, new knowledge acquisition and knowledge management. CBR is a cyclic method where the central notion is a case which represents an earlier experience. Several cases are collected and stored in a memory: the case base. The goal of this paper is to soften the way to describe problem and to increase the effectiveness of the system during the retrieval of relevant case

Case Based Reasoning for Chemical Engineering Design

With current industrial environment (competition, lower profit margin, reduced time to market, decreased product life cycle, environmental constraints, sustainable development, reactivity, innovation…), we must decrease the time for design of new products or processes. While the design activity is marked out by several steps, this article proposed a decision support tool for the preliminary design step. This tool is based on the Case Based Reasoning (CBR) method. This method has demonstrated its effectiveness in other domains (medical, architecture…) and more recently in chemical engineering. This method, coming from Artificial Intelligence, is based on the reusing of earlier experiences to solve new problems. The goal of this article is to show the utility of such method for unit operation (for example) pre-design but also to propose several evolutions for CBR through a domain as complex as the chemical engineering is (because of its interactions, non linearity, intensification problems…). During the pre-design step, some parameters like operating conditions are not precisely known but we have an interval of possible values, worse we only have a partial description of the problem.. To take into account this imprecision in the problem description, the CBR method is coupled with the fuzzy sets theory. After a mere presentation of the CBR method, a practical implementation is described with the choice and the pre-design of packing for separation columns