| 000 | 01364 a2200361 4500 | ||
|---|---|---|---|
| 005 | 20250515095708.0 | ||
| 264 | 0 | _c20080515 | |
| 008 | 200805s 0 0 eng d | ||
| 022 | _a0920-654X | ||
| 024 | 7 |
_a10.1007/s10822-007-9160-9 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aSchroeter, Timon Sebastian | |
| 245 | 0 | 0 |
_aEstimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. _h[electronic resource] |
| 260 |
_bJournal of computer-aided molecular design _cDec 2007 |
||
| 300 |
_a651-64 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't | ||
| 650 | 0 | 4 | _aAlgorithms |
| 650 | 0 | 4 | _aArtificial Intelligence |
| 650 | 0 | 4 | _aDrug Design |
| 650 | 0 | 4 |
_aPharmaceutical Preparations _xchemistry |
| 650 | 0 | 4 | _aQuantitative Structure-Activity Relationship |
| 650 | 0 | 4 | _aSolubility |
| 650 | 0 | 4 |
_aWater _xchemistry |
| 700 | 1 | _aSchwaighofer, Anton | |
| 700 | 1 | _aMika, Sebastian | |
| 700 | 1 | _aTer Laak, Antonius | |
| 700 | 1 | _aSuelzle, Detlev | |
| 700 | 1 | _aGanzer, Ursula | |
| 700 | 1 | _aHeinrich, Nikolaus | |
| 700 | 1 | _aMüller, Klaus-Robert | |
| 773 | 0 |
_tJournal of computer-aided molecular design _gvol. 21 _gno. 12 _gp. 651-64 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1007/s10822-007-9160-9 _zAvailable from publisher's website |
| 999 |
_c17574654 _d17574654 |
||