List of works - Sergii Novotarskyi

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.

scientific article published on 20 May 2011

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

scientific article published on 27 December 2010

Applicability domain for in silico models to achieve accuracy of experimental measurements

article

Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms.

scientific article published on 22 March 2013

Classification of CYP450 1A2 inhibitors using PubChem data.

scientific article published on 4 May 2010

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

scientific article

From Descriptors to Predicted Properties: Experimental Design by Using Applicability Domain Estimation ⬇️

scientific article published on March 1, 2013

How accurately can we predict the melting points of drug-like compounds?

scientific article published on 9 December 2014

In silico pKa prediction.

scientific article

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

scientific article published on 15 January 2013

OCHEM - on-line CHEmical database & modeling environment

article published in 2010

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

scientific article (publication date: June 2011)

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

scientific article (publication date: 2014)

QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”.

scientific article

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model

scientific article

Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing

scientific article published on January 2015

List of works by Sergii Novotarskyi

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Applicability domain for in silico models to achieve accuracy of experimental measurements

Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms.

Classification of CYP450 1A2 inhibitors using PubChem data.

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions

From Descriptors to Predicted Properties: Experimental Design by Using Applicability Domain Estimation ⬇️

How accurately can we predict the melting points of drug-like compounds?

In silico pKa prediction.

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

OCHEM - on-line CHEmical database & modeling environment

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”.

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model

Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing