Search Results - "Judson, Philip N."

Adapting CHMTRN (CHeMistry TRaNslator) for a New Use by Judson, Philip N, Ihlenfeldt, Wolf-Dietrich, Patel, Hitesh, Delannée, Victorien, Tarasova, Nadya, Nicklaus, Marc C

“…We have adopted and extended the CHMTRN language and used it for the knowledge base of a computer program to generate a large database of synthetically…”
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SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules by Patel, Hitesh, Ihlenfeldt, Wolf-Dietrich, Judson, Philip N., Moroz, Yurii S., Pevzner, Yuri, Peach, Megan L., Delannée, Victorien, Tarasova, Nadya I., Nicklaus, Marc C.

“…We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI)…”
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Emerging Pattern Mining To Aid Toxicological Knowledge Discovery by Sherhod, Richard, Judson, Philip N, Hanser, Thierry, Vessey, Jonathan D, Webb, Samuel J, Gillet, Valerie J

“…Knowledge-based systems for toxicity prediction are typically based on rules, known as structural alerts, that describe relationships between structural…”
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Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining by Sherhod, Richard, Gillet, Valerie J, Judson, Philip N, Vessey, Jonathan D

“…The design of new alerts, that is, collections of structural features observed to result in toxicological activity, can be a slow process and may require…”
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Assessing Confidence in Predictions Using Veracity and Utility - A Case Study on the Prediction of Mammalian Metabolism by Meteor Nexus by Judson, Philip N., Long, Anthony, Murray, Ernest, Patel, Mukesh

“…A previous paper1 described new metrics, veracity and utility, for assessing the performance of toxicity prediction systems that report confidence in their…”
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Assessing confidence in predictions made by knowledge-based systems by Judson, Philip N., Stalford, Susanne A., Vessey, Jonathan

“…A new metric, "veracity", is proposed for assessing the performance of qualitative, reasoning-based prediction systems that takes into account the ability of…”
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Establishing Good Computer Modelling Practice (GCMP) in the Prediction of Chemical Toxicity by Judson, Philip N., Barber, Christopher, Canipa, Steven J., Poignant, Géraldine, Williams, Richard

“…This paper suggests guidelines for good computer modelling practice (GCMP) when predicting chemical toxicity, with similar purposes to those for Good…”
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A Bioactivity Versus Ethnobotanical Survey of Medicinal Plants from Nigeria, West Africa by Lifongo, Lydia L., Simoben, Conrad V., Ntie-Kang, Fidele, Babiaka, Smith B., Judson, Philip N.

“…Traditional medicinal practices play a key role in health care systems in countries with developing economies. The aim of this survey was to validate the use…”
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How “drug-like” are naturally occurring anti-cancer compounds? by Ntie-Kang, Fidele, Lifongo, Lydia L., Judson, Philip N., Sippl, Wolfgang, Efange, Simon M. N.

“…We attempt to evaluate the “drug-likeness” of a collection of ∼1500 natural products, exhibiting in vitro or in vivo activities against cancers of various…”
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Towards the creation of an international toxicology information centre by Judson, Philip N., Cooke, Paul A., Doerrer, Nancy G., Greene, Nigel, Hanzlik, Robert P., Hardy, Christopher, Hartmann, Andreas, Hinchliffe, David, Holder, Julie, Müller, Lutz, Steger-Hartmann, Thomas, Rothfuss, Andreas, Smith, Mark, Thomas, Karluss, Vessey, Jonathan D., Zeiger, Errol

“…A pilot toxicology database system has been created which is accessible on-line via the world-wide web or in-house via an intranet. It is intended to be…”
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Cameroonian medicinal plants: a bioactivity versus ethnobotanical survey and chemotaxonomic classification by Ntie-Kang, Fidele, Lifongo, Lydia Likowo, Mbaze, Luc Meva'a, Ekwelle, Nnange, Owono Owono, Luc C, Megnassan, Eugene, Judson, Philip N, Sippl, Wolfgang, Efange, Simon M N

“…In Cameroon herbs are traditionally used to meet health care needs and plans are on the way to integrate traditional medicine in the health care system, even…”
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Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics by Button, William G, Judson, Philip N, Long, Anthony, Vessey, Jonathan D

“…To be useful, a system which predicts the metabolic fate of a chemical should predict the more likely metabolites rather than every possibility. Reasoning can…”
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Using Argumentation for Absolute Reasoning about the Potential Toxicity of Chemicals by Judson, Philip N, Marchant, Carol A, Vessey, Jonathan D

“…The application of a new argumentation model is illustrated by reference to DEREK for Windows, a knowledge-based expert system for the prediction of the…”
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A Comprehensive Approach to Argumentation by Judson, Philip N, Vessey, Jonathan D

“…A reasoning model, based on the logic of argumentation, is described. The model represents argumentation as a directed graph in which nodes and arcs can be…”
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Starting material oriented retrosynthetic analysis in the LHASA program. 1. General description by Johnson, A. Peter, Marshall, Chris, Judson, Philip N

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Toxicological knowledge discovery by mining emerging patterns from toxicity data by Sherhod, Richard, Gillet, Valerie J, Hanser, Thierry, Judson, Philip N, Vessey, Jonathan D

“…Doc number: O9…”
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Assessing the pharmacokinetic profile of the CamMedNP natural products database: an in silico approach by Ntie-Kang, Fidele, Mbah, James A, Lifongo, Lydia L, Owono Owono, Luc C, Megnassan, Eugene, Meva'a Mbaze, Luc, Judson, Philip N, Sippl, Wolfgang, Efange, Simon MN

“…Background Drug metabolism and pharmacokinetic (DMPK) assessment has come to occupy a place of interest during the early stages of drug discovery today…”
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In silico drug metabolism and pharmacokinetic profiles of natural products from medicinal plants in the Congo basin by Ntie-Kang, Fidele, Lifongo, Lydia L, Mbah, James A, Owono Owono, Luc C, Megnassan, Eugene, Mbaze, Luc Meva’a, Judson, Philip N, Sippl, Wolfgang, Efange, Simon M N

“…Purpose Drug metabolism and pharmacokinetics (DMPK) assessment has come to occupy a place of interest during the early stages of drug discovery today. The use…”
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Structural similarity searching using descriptors developed for structure-activity relationship studies by Judson, Philip N

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Rule induction for systems predicting biological activity. [Erratum to document cited in CA120:76590] by Judson, Philip N

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